WAY-311621
csChFnd80/11182011152D

 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> (1)
1

>  <Formula> (1)
C18H17BrN2O2

>  <MolWeight> (1)
373.24378

>  <PCAT_CMPD_ID> (1)
WAY-311621

>  <CNC_ID> (1)
359315362

>  <transfer_container_id> (1)
PTN000000065

>  <COMPOUND_NUMBER> (1)
WAY-311621

>  <BAR_CODE_NO> (1)
3916053

>  <LOCATION_CODE> (1)
PTNCS

>  <AMOUNT_CURRENT> (1)
33.3

$$$$
WAY-310384
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -4.0551   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0551   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758   -1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9309   -1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1758    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9309    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2999   -1.1171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8033   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2999   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8033   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206   -1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206   -2.6378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311   -1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104   -0.1033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0863    0.4001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932   -0.4689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794    1.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8415    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7173    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8415    2.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7173    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5967    2.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4725    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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
 28 29  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
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C22H26N2O4S

>  <MolWeight> (2)
414.51784

>  <PCAT_CMPD_ID> (2)
WAY-310384

>  <CNC_ID> (2)
359314125

>  <transfer_container_id> (2)
PTN000000065

>  <COMPOUND_NUMBER> (2)
WAY-310384

>  <BAR_CODE_NO> (2)
3914598

>  <LOCATION_CODE> (2)
PTNCS

>  <AMOUNT_CURRENT> (2)
33.3

$$$$
WAY-313198
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.2849    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4539    0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8746    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8746   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1358    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358   -0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642    0.8552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0849   -0.3552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2539    1.2345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254    0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1358    1.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    0.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3151    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3151   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1151    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
  9 12  1  0  0  0  0
  9 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
 15 17  1  0  0  0  0
 17 18  2  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
  7  8  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C14H14F3N3O2

>  <MolWeight> (3)
313.2750696

>  <PCAT_CMPD_ID> (3)
WAY-313198

>  <CNC_ID> (3)
359328234

>  <transfer_container_id> (3)
PTN000000067

>  <COMPOUND_NUMBER> (3)
WAY-313198

>  <BAR_CODE_NO> (3)
3918019

>  <LOCATION_CODE> (3)
PTNCS

>  <AMOUNT_CURRENT> (3)
33

$$$$
WAY-313138
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.8241   -1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.5659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -1.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862    0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241   -1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -2.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448   -1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448   -1.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241   -3.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069    0.0962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552    0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552    0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    0.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552    1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7655    0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    2.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7655    1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 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
 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 10  1  0  0  0  0
  9 12  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C20H20N2O3

>  <MolWeight> (4)
336.3844

>  <PCAT_CMPD_ID> (4)
WAY-313138

>  <CNC_ID> (4)
359328174

>  <transfer_container_id> (4)
PTN000000067

>  <COMPOUND_NUMBER> (4)
WAY-313138

>  <BAR_CODE_NO> (4)
3917941

>  <LOCATION_CODE> (4)
PTNCS

>  <AMOUNT_CURRENT> (4)
33.3

$$$$
WAY-217454
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.9379    0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069    1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -1.0580    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    0.1420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    0.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759    1.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    2.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2172    0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -1.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    2.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -1.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -0.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -2.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8103    0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655   -1.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7897   -0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C16H17NO3S

>  <MolWeight> (5)
303.37608

>  <PCAT_CMPD_ID> (5)
WAY-217454

>  <CNC_ID> (5)
359313805

>  <transfer_container_id> (5)
PTN000000065

>  <COMPOUND_NUMBER> (5)
WAY-217454

>  <BAR_CODE_NO> (5)
3915356

>  <LOCATION_CODE> (5)
PTNCS

>  <AMOUNT_CURRENT> (5)
33.3

$$$$
WAY-311469
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0586    0.9034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6517    0.4897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4759    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    2.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    1.0759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6483   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    1.4897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3000    1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    0.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    1.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -2.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -0.7276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -3.0103    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  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
  8 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
 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
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C13H15NO6

>  <MolWeight> (6)
281.2613

>  <PCAT_CMPD_ID> (6)
WAY-311469

>  <CNC_ID> (6)
359315210

>  <transfer_container_id> (6)
PTN000000065

>  <COMPOUND_NUMBER> (6)
WAY-311469

>  <BAR_CODE_NO> (6)
3915858

>  <LOCATION_CODE> (6)
PTNCS

>  <AMOUNT_CURRENT> (6)
33.5

$$$$
WAY-311833
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.3655   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -1.0310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3655    0.2724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -1.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    0.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    3.5828    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -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  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  1  0  0  0  0
  7 14  2  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
 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
 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
 25 26  1  0  0  0  0
  6 10  1  0  0  0  0
 17 20  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C19H21FN2O3S

>  <MolWeight> (7)
376.4450432

>  <PCAT_CMPD_ID> (7)
WAY-311833

>  <CNC_ID> (7)
359315574

>  <transfer_container_id> (7)
PTN000000065

>  <COMPOUND_NUMBER> (7)
WAY-311833

>  <BAR_CODE_NO> (7)
3916349

>  <LOCATION_CODE> (7)
PTNCS

>  <AMOUNT_CURRENT> (7)
33

$$$$
WAY-312438
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.4448   -0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -1.1448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4448    0.1621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    0.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    0.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -1.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -0.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -0.3793    0.0000 C   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
   -2.8172   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    3.4690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655   -0.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379    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  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  1  0  0  0  0
  7 14  2  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
 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6 10  1  0  0  0  0
 17 20  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C18H19FN2O4S

>  <MolWeight> (8)
378.4178632

>  <PCAT_CMPD_ID> (8)
WAY-312438

>  <CNC_ID> (8)
359316178

>  <transfer_container_id> (8)
PTN000000065

>  <COMPOUND_NUMBER> (8)
WAY-312438

>  <BAR_CODE_NO> (8)
3917073

>  <LOCATION_CODE> (8)
PTNCS

>  <AMOUNT_CURRENT> (8)
33.1

$$$$
WAY-344527
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.5917   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -4.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3625   -6.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -4.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -7.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -6.2542    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
   15.0917  -10.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -3.3875    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
   -0.9750   -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 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  1  0  0  0  0
  7  9  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  1  0  0  0  0
 12  3  1  0  0  0  0
 13 18  2  0  0  0  0
 14  6  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 14  2  0  0  0  0
 21 14  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  2  1  0  0  0  0
 13 17  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C20H25N3S

>  <MolWeight> (9)
339.4976

>  <PCAT_CMPD_ID> (9)
WAY-344527

>  <CNC_ID> (9)
359319850

>  <transfer_container_id> (9)
PTN000000065

>  <COMPOUND_NUMBER> (9)
WAY-344527

>  <BAR_CODE_NO> (9)
2554795

>  <LOCATION_CODE> (9)
PTNCS

>  <AMOUNT_CURRENT> (9)
32.1

$$$$
WAY-118047
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.7500    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.2000    0.0000 N   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
    3.9000    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -1.5875    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
   -1.6208   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  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  1  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 15  1  0  0  0  0
 13  5  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16  8  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20  4  1  0  0  0  0
 21  4  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 24  1  0  0  0  0
 14 12  2  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C19H29N3O2S

>  <MolWeight> (10)
363.51746

>  <PCAT_CMPD_ID> (10)
WAY-118047

>  <CNC_ID> (10)
359313734

>  <transfer_container_id> (10)
PTN000000065

>  <COMPOUND_NUMBER> (10)
WAY-118047

>  <BAR_CODE_NO> (10)
3915875

>  <LOCATION_CODE> (10)
PTNCS

>  <AMOUNT_CURRENT> (10)
33.8

$$$$
WAY-343846
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.2667   -7.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -4.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -7.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -9.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -5.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9667    0.0000 Cl  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
    6.0250   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -0.3042    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  4  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  1  2  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  8  1  0  0  0  0
 14  7  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 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20  4  1  0  0  0  0
 21  6  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
 18 16  2  0  0  0  0
 11 13  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C17H17ClN2O3S

>  <MolWeight> (11)
364.84648

>  <PCAT_CMPD_ID> (11)
WAY-343846

>  <CNC_ID> (11)
359319187

>  <transfer_container_id> (11)
PTN000000065

>  <COMPOUND_NUMBER> (11)
WAY-343846

>  <BAR_CODE_NO> (11)
2553968

>  <LOCATION_CODE> (11)
PTNCS

>  <AMOUNT_CURRENT> (11)
32.4

$$$$
WAY-312731
csChFnd80/11182011152D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -3.1207    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4207    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -0.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4207   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -0.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3724    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3724   -0.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6724    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6724   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 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
 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
  8 11  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C18H19N5O3

>  <MolWeight> (12)
353.37516

>  <PCAT_CMPD_ID> (12)
WAY-312731

>  <CNC_ID> (12)
359327768

>  <transfer_container_id> (12)
PTN000000067

>  <COMPOUND_NUMBER> (12)
WAY-312731

>  <BAR_CODE_NO> (12)
3917419

>  <LOCATION_CODE> (12)
PTNCS

>  <AMOUNT_CURRENT> (12)
33.6

$$$$
WAY-312749
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.6421    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6284    0.3275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2801   -0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1215    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6628    2.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2008   -0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1766   -0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0697   -1.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0697    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870    2.8275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111    1.9827    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2923    0.3448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2613    0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3303   -0.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7544   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785   -1.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7027   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716   -2.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1958   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7372   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475   -2.9414    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
  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
  8 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
 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 13  2  0  0  0  0
 10 12  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C16H13ClN2O6S

>  <MolWeight> (13)
396.80222

>  <PCAT_CMPD_ID> (13)
WAY-312749

>  <CNC_ID> (13)
359327786

>  <transfer_container_id> (13)
PTN000000067

>  <COMPOUND_NUMBER> (13)
WAY-312749

>  <BAR_CODE_NO> (13)
3917442

>  <LOCATION_CODE> (13)
PTNCS

>  <AMOUNT_CURRENT> (13)
33.3

$$$$
WAY-218068
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2430   -0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8990   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990    0.0480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370   -0.2430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060   -0.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650    0.4590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1330   -0.5640    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2140   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2950    0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320    0.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620    0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130    0.7020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470    0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440    0.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280    0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070    0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6780   -0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370   -0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8600   -0.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -0.6030    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  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  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 19 15  2  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 13 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  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
  3 10  1  0  0  0  0
 24 25  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C18H25ClN4OS

>  <MolWeight> (14)
380.9353

>  <PCAT_CMPD_ID> (14)
WAY-218068

>  <CNC_ID> (14)
359313810

>  <transfer_container_id> (14)
PTN000000065

>  <COMPOUND_NUMBER> (14)
WAY-218068

>  <BAR_CODE_NO> (14)
3915343

>  <LOCATION_CODE> (14)
PTNCS

>  <AMOUNT_CURRENT> (14)
33.6

$$$$
WAY-312481
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.9042    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   -2.6542    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  2  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 11  1  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  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16 13  2  0  0  0  0
 17  6  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22 13  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 24  1  0  0  0  0
  9  2  1  0  0  0  0
 19 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C20H30N4OS

>  <MolWeight> (15)
374.5434

>  <PCAT_CMPD_ID> (15)
WAY-312481

>  <CNC_ID> (15)
359316221

>  <transfer_container_id> (15)
PTN000000065

>  <COMPOUND_NUMBER> (15)
WAY-312481

>  <BAR_CODE_NO> (15)
3917121

>  <LOCATION_CODE> (15)
PTNCS

>  <AMOUNT_CURRENT> (15)
33.6

$$$$
WAY-113997
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6577    3.7020    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3308    2.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2939    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505    4.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215    5.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999    6.3791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    2.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    1.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0730    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9566    4.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3451    5.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0585    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8022    5.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2457    3.6754    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
    1.3162    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0441    1.5284    0.0000 C   0  0  0  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 11  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  1  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  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 16  2  0  0  0  0
  6  5  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C15H20O3

>  <MolWeight> (16)
248.3175

>  <PCAT_CMPD_ID> (16)
WAY-113997

>  <CNC_ID> (16)
359313692

>  <transfer_container_id> (16)
PTN000000065

>  <COMPOUND_NUMBER> (16)
WAY-113997

>  <BAR_CODE_NO> (16)
3917093

>  <LOCATION_CODE> (16)
PTNCS

>  <AMOUNT_CURRENT> (16)
33.7

$$$$
WAY-313147
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.2897    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -0.1966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655    1.8448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3897   -0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    1.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0897    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3345   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724    0.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103   -0.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 12 15  1  0  0  0  0
 13 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
 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
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C18H13ClN2O4S

>  <MolWeight> (17)
388.82482

>  <PCAT_CMPD_ID> (17)
WAY-313147

>  <CNC_ID> (17)
359328183

>  <transfer_container_id> (17)
PTN000000067

>  <COMPOUND_NUMBER> (17)
WAY-313147

>  <BAR_CODE_NO> (17)
3917950

>  <LOCATION_CODE> (17)
PTNCS

>  <AMOUNT_CURRENT> (17)
33.4

$$$$
WAY-311963-A
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1996    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1996    0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893   -0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651    1.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0866    0.0384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410    0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7383   -0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0866    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2099    1.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8789    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -1.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7590    0.0384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7590   -1.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4349   -0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4349   -1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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  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
  6  8  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C17H22N2

>  <MolWeight> (18)
254.36998

>  <PCAT_CMPD_ID> (18)
WAY-311963-A

>  <CNC_ID> (18)
359315704

>  <transfer_container_id> (18)
PTN000000065

>  <COMPOUND_NUMBER> (18)
WAY-311963-A

>  <BAR_CODE_NO> (18)
3916508

>  <LOCATION_CODE> (18)
PTNCS

>  <AMOUNT_CURRENT> (18)
33.6

$$$$
WL-347672
csChFnd80/11182011152D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0893   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5134    0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824   -1.6759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3245   -1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100   -0.7862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2176    0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755    1.7621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6383   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935    1.4241    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  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
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C4H4N2OS3

>  <MolWeight> (19)
192.28236

>  <PCAT_CMPD_ID> (19)
WL-347672

>  <CNC_ID> (19)
359326682

>  <transfer_container_id> (19)
PTN000000065

>  <COMPOUND_NUMBER> (19)
WL-347672

>  <BAR_CODE_NO> (19)
3916194

>  <LOCATION_CODE> (19)
PTNCS

>  <AMOUNT_CURRENT> (19)
33.7

$$$$
WAY-311922
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.8034   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -0.1517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7759   -1.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.8690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034    1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -2.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966    1.8552    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
    2.3621    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -0.5172    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
  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
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C16H27NO3

>  <MolWeight> (20)
281.39048

>  <PCAT_CMPD_ID> (20)
WAY-311922

>  <CNC_ID> (20)
359315663

>  <transfer_container_id> (20)
PTN000000065

>  <COMPOUND_NUMBER> (20)
WAY-311922

>  <BAR_CODE_NO> (20)
3916459

>  <LOCATION_CODE> (20)
PTNCS

>  <AMOUNT_CURRENT> (20)
33.7

$$$$
GI-507461
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.8241    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    1.0069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138    2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    1.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655    2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759   -2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -3.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -3.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -3.8345    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
  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
 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
  9 11  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C14H16N2O2S

>  <MolWeight> (21)
276.35404

>  <PCAT_CMPD_ID> (21)
GI-507461

>  <CNC_ID> (21)
359313647

>  <transfer_container_id> (21)
PTN000000065

>  <COMPOUND_NUMBER> (21)
GI-507461

>  <BAR_CODE_NO> (21)
3915716

>  <LOCATION_CODE> (21)
PTNCS

>  <AMOUNT_CURRENT> (21)
33.4

$$$$
GI-575110
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.7897    0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7897   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4592    1.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202    1.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4592   -2.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -2.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465    0.2779    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.4507    0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1288   -1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4507   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8160    1.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3548    0.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6912    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0217    0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6912    2.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3581    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3640   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6945    0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7004   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0308   -2.2589    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
 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
  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> (22)
22

>  <Formula> (22)
C16H14ClNO3

>  <MolWeight> (22)
303.74026

>  <PCAT_CMPD_ID> (22)
GI-575110

>  <CNC_ID> (22)
359326801

>  <transfer_container_id> (22)
PTN000000067

>  <COMPOUND_NUMBER> (22)
GI-575110

>  <BAR_CODE_NO> (22)
3917403

>  <LOCATION_CODE> (22)
PTNCS

>  <AMOUNT_CURRENT> (22)
33.4

$$$$
WAY-344383
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.9167   -4.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -4.4417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -8.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -7.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  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  5  1  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 17  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
 13  5  1  0  0  0  0
 14 18  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C18H19NO2

>  <MolWeight> (23)
281.34896

>  <PCAT_CMPD_ID> (23)
WAY-344383

>  <CNC_ID> (23)
359319718

>  <transfer_container_id> (23)
PTN000000065

>  <COMPOUND_NUMBER> (23)
WAY-344383

>  <BAR_CODE_NO> (23)
2554604

>  <LOCATION_CODE> (23)
PTNCS

>  <AMOUNT_CURRENT> (23)
32.6

$$$$
WAY-344515
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    6.0500   -3.7000    0.0000 C   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
    5.3917   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -3.7042    0.0000 C   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
    3.5500   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -4.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -1.3542    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  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9 16  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 17  2  0  0  0  0
 15  8  2  0  0  0  0
 16 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20  2  1  0  0  0  0
 21  3  1  0  0  0  0
 22 18  2  0  0  0  0
 23  5  1  0  0  0  0
 24  4  1  0  0  0  0
 25 14  1  0  0  0  0
 26 25  1  0  0  0  0
 27 20  2  0  0  0  0
 28 21  2  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
  5  4  1  0  0  0  0
  7 13  1  0  0  0  0
 30 23  2  0  0  0  0
 29 24  2  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C25H25N3O2

>  <MolWeight> (24)
399.4849

>  <PCAT_CMPD_ID> (24)
WAY-344515

>  <CNC_ID> (24)
359319838

>  <transfer_container_id> (24)
PTN000000065

>  <COMPOUND_NUMBER> (24)
WAY-344515

>  <BAR_CODE_NO> (24)
2554783

>  <LOCATION_CODE> (24)
PTNCS

>  <AMOUNT_CURRENT> (24)
32.3

$$$$
WAY-311566
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.9448   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -0.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -1.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -1.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.2586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -0.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379    0.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552   -0.2793    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  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
 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
 24 25  1  0  0  0  0
  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C17H17N3O4S

>  <MolWeight> (25)
359.39958

>  <PCAT_CMPD_ID> (25)
WAY-311566

>  <CNC_ID> (25)
359315307

>  <transfer_container_id> (25)
PTN000000065

>  <COMPOUND_NUMBER> (25)
WAY-311566

>  <BAR_CODE_NO> (25)
3915980

>  <LOCATION_CODE> (25)
PTNCS

>  <AMOUNT_CURRENT> (25)
33.9

$$$$
WAY-345195
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1792   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -6.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125   -8.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -5.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000   -3.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500  -10.0250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -3.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.8458    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  3  1  0  0  0  0
  6 12  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  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15  1  1  0  0  0  0
 16  5  2  0  0  0  0
 17 19  2  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 21 18  2  0  0  0  0
 17  7  1  0  0  0  0
M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C14H11ClN2O4

>  <MolWeight> (26)
306.70114

>  <PCAT_CMPD_ID> (26)
WAY-345195

>  <CNC_ID> (26)
359320498

>  <transfer_container_id> (26)
PTN000000065

>  <COMPOUND_NUMBER> (26)
WAY-345195

>  <BAR_CODE_NO> (26)
2555423

>  <LOCATION_CODE> (26)
PTNCS

>  <AMOUNT_CURRENT> (26)
32.5

$$$$
WAY-310991
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.0241   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.3069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6448    0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -0.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    1.3310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    1.0069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    0.1655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448    2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -2.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724    1.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -3.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724    0.7379    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
  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  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
 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
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5  8  1  0  0  0  0
 20 23  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C19H17F3N2O4

>  <MolWeight> (27)
394.3444896

>  <PCAT_CMPD_ID> (27)
WAY-310991

>  <CNC_ID> (27)
359314733

>  <transfer_container_id> (27)
PTN000000065

>  <COMPOUND_NUMBER> (27)
WAY-310991

>  <BAR_CODE_NO> (27)
3915312

>  <LOCATION_CODE> (27)
PTNCS

>  <AMOUNT_CURRENT> (27)
33.6

$$$$
GI-568929
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.5176   -0.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5176    0.8892    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8566    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566   -1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787   -1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787    1.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1903   -0.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8566   -2.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787   -2.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    0.8892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787    3.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5138   -1.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1903   -3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630    1.6698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5138   -2.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -2.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1099    1.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865   -0.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1099    3.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    1.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5160    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5138    2.4814    0.0000 C   0  0  0  0  0  0  0  0  0  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
  4  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
  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  2  0  0  0  0
 20 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  1  0  0  0  0
  2  3  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C22H20N2O2

>  <MolWeight> (28)
344.4064

>  <PCAT_CMPD_ID> (28)
GI-568929

>  <CNC_ID> (28)
359326797

>  <transfer_container_id> (28)
PTN000000067

>  <COMPOUND_NUMBER> (28)
GI-568929

>  <BAR_CODE_NO> (28)
3917448

>  <LOCATION_CODE> (28)
PTNCS

>  <AMOUNT_CURRENT> (28)
33.5

$$$$
WAY-345462
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.1667   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -3.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    2.1458    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  3  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 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 21 11  2  0  0  0  0
 22  9  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 26  7  2  0  0  0  0
 27  8  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
  2  3  2  0  0  0  0
 27 29  1  0  0  0  0
 15 18  2  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C22H15N3O3S

>  <MolWeight> (29)
401.4378

>  <PCAT_CMPD_ID> (29)
WAY-345462

>  <CNC_ID> (29)
359320731

>  <transfer_container_id> (29)
PTN000000065

>  <COMPOUND_NUMBER> (29)
WAY-345462

>  <BAR_CODE_NO> (29)
2555664

>  <LOCATION_CODE> (29)
PTNCS

>  <AMOUNT_CURRENT> (29)
32.2

$$$$
WAY-312883
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.0284    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8387    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   -0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112    1.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2456   -0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2353    1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008    1.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0560   -0.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0560    1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4732    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4302    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -0.2803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440    1.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750   -0.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475    1.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3026   -0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337   -1.6734    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9406   -2.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578   -1.6527    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
  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  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
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C20H16N2O3

>  <MolWeight> (30)
332.35264

>  <PCAT_CMPD_ID> (30)
WAY-312883

>  <CNC_ID> (30)
359327920

>  <transfer_container_id> (30)
PTN000000067

>  <COMPOUND_NUMBER> (30)
WAY-312883

>  <BAR_CODE_NO> (30)
3917611

>  <LOCATION_CODE> (30)
PTNCS

>  <AMOUNT_CURRENT> (30)
33.5

$$$$
WAY-312043
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.0075   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3558   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3075   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558    0.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7075   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2937   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3178    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937   -1.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8925    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5546   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1925    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2097   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8442    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8442   -0.0241    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  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
 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
 17 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  9  1  0  0  0  0
 16 17  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C19H22N2O3

>  <MolWeight> (31)
326.38958

>  <PCAT_CMPD_ID> (31)
WAY-312043

>  <CNC_ID> (31)
359315784

>  <transfer_container_id> (31)
PTN000000065

>  <COMPOUND_NUMBER> (31)
WAY-312043

>  <BAR_CODE_NO> (31)
3916603

>  <LOCATION_CODE> (31)
PTNCS

>  <AMOUNT_CURRENT> (31)
33.1

$$$$
WAY-312686
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.5379   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.5931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3138   -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
  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  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
 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
 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
 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
 19 21  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C21H18N2O2S

>  <MolWeight> (32)
362.44482

>  <PCAT_CMPD_ID> (32)
WAY-312686

>  <CNC_ID> (32)
359327723

>  <transfer_container_id> (32)
PTN000000067

>  <COMPOUND_NUMBER> (32)
WAY-312686

>  <BAR_CODE_NO> (32)
3917350

>  <LOCATION_CODE> (32)
PTNCS

>  <AMOUNT_CURRENT> (32)
33.8

$$$$
WAY-312709
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.0062   -1.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752   -0.6889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1372   -0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062   -2.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7062   -0.1785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648    0.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028   -1.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1372   -2.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855    0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5579   -0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5662   -0.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4062   -0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5662    0.2939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4731   -1.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4062    0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4352    0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4145    1.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3214    0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3214    2.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    2.2973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110    0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110    1.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7352    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 23 26  1  0  0  0  0
  9 13  2  0  0  0  0
 15 18  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C18H20N2O5S

>  <MolWeight> (33)
376.4268

>  <PCAT_CMPD_ID> (33)
WAY-312709

>  <CNC_ID> (33)
359327746

>  <transfer_container_id> (33)
PTN000000067

>  <COMPOUND_NUMBER> (33)
WAY-312709

>  <BAR_CODE_NO> (33)
3917389

>  <LOCATION_CODE> (33)
PTNCS

>  <AMOUNT_CURRENT> (33)
33.4

$$$$
WAY-344454
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.4417   -8.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -6.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8125   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -7.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417  -10.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6750   -8.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -3.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -1.9292    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  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  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15  2  1  0  0  0  0
 16  9  1  0  0  0  0
 17 18  1  0  0  0  0
 18 10  2  0  0  0  0
 19 21  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
  2  5  1  0  0  0  0
 19  8  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C15H17N3O4

>  <MolWeight> (34)
303.31318

>  <PCAT_CMPD_ID> (34)
WAY-344454

>  <CNC_ID> (34)
359319788

>  <transfer_container_id> (34)
PTN000000065

>  <COMPOUND_NUMBER> (34)
WAY-344454

>  <BAR_CODE_NO> (34)
2554685

>  <LOCATION_CODE> (34)
PTNCS

>  <AMOUNT_CURRENT> (34)
29.3

$$$$
WAY-344165
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.4667  -13.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167  -14.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750  -10.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167  -13.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042  -14.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -9.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542  -10.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250  -12.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792  -11.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917  -15.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750  -13.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000  -15.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7000  -10.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -7.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042  -14.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -9.1167    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  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  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  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12 16  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 23  1  0  0  0  0
 18  2  1  0  0  0  0
 19  2  1  0  0  0  0
 20 15  2  0  0  0  0
 21 12  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 26  1  0  0  0  0
 26 14  2  0  0  0  0
 27 25  2  0  0  0  0
 17 24  1  0  0  0  0
  5 12  2  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C17H18ClN3O4S2

>  <MolWeight> (35)
427.92552

>  <PCAT_CMPD_ID> (35)
WAY-344165

>  <CNC_ID> (35)
359319501

>  <transfer_container_id> (35)
PTN000000065

>  <COMPOUND_NUMBER> (35)
WAY-344165

>  <BAR_CODE_NO> (35)
2554348

>  <LOCATION_CODE> (35)
PTNCS

>  <AMOUNT_CURRENT> (35)
32.6

$$$$
WAY-311658
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.3138    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    2.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    2.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138   -3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552   -3.1276    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.5759    2.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241   -2.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552   -4.2586    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5379    1.9034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5241    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4690    0.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -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  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  2  0  0  0  0
 10 16  2  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
 18 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
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 11  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C20H17NO7

>  <MolWeight> (36)
383.35148

>  <PCAT_CMPD_ID> (36)
WAY-311658

>  <CNC_ID> (36)
359315399

>  <transfer_container_id> (36)
PTN000000065

>  <COMPOUND_NUMBER> (36)
WAY-311658

>  <BAR_CODE_NO> (36)
3916104

>  <LOCATION_CODE> (36)
PTNCS

>  <AMOUNT_CURRENT> (36)
33.2

$$$$
WAY-345177
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   10.8042   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -4.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292    3.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500  -11.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -6.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542  -10.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917  -11.4542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292  -11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7625   -8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.5917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    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  5  1  0  0  0  0
  4  1  2  0  0  0  0
  5 12  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  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12 20  1  0  0  0  0
 13  6  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  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19  2  1  0  0  0  0
 20  9  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  6  1  0  0  0  0
 15 22  2  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C15H11ClF3NO3S

>  <MolWeight> (37)
377.7659496

>  <PCAT_CMPD_ID> (37)
WAY-345177

>  <CNC_ID> (37)
359320480

>  <transfer_container_id> (37)
PTN000000065

>  <COMPOUND_NUMBER> (37)
WAY-345177

>  <BAR_CODE_NO> (37)
2555448

>  <LOCATION_CODE> (37)
PTNCS

>  <AMOUNT_CURRENT> (37)
32.6

$$$$
WAY-311260
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4500    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    4.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    4.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3415    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5500    5.4665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3415    4.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6915    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2835    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6915    4.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    4.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8375    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8375    5.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750    1.9875    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
  -16.0000    4.2790    0.0000 C   0  0  0  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 12  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  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  2  0  0  0  0
 21 14  1  0  0  0  0
 22 20  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
  5  6  2  0  0  0  0
 22 17  2  0  0  0  0
  9 14  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C19H16N4OS

>  <MolWeight> (38)
348.42154

>  <PCAT_CMPD_ID> (38)
WAY-311260

>  <CNC_ID> (38)
359315001

>  <transfer_container_id> (38)
PTN000000065

>  <COMPOUND_NUMBER> (38)
WAY-311260

>  <BAR_CODE_NO> (38)
3915630

>  <LOCATION_CODE> (38)
PTNCS

>  <AMOUNT_CURRENT> (38)
33.5

$$$$
WAY-238554
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.9688    2.3385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1100    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3879    3.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2699    2.3757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8226    3.6659    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0728    0.1584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505    1.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308    4.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6937    4.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371    2.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    4.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2236    2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9083    0.0000 C   0  0  0  0  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  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  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 14  1  0  0  0  0
  4  5  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C11H18N2OS

>  <MolWeight> (39)
226.33842

>  <PCAT_CMPD_ID> (39)
WAY-238554

>  <CNC_ID> (39)
359313960

>  <transfer_container_id> (39)
PTN000000065

>  <COMPOUND_NUMBER> (39)
WAY-238554

>  <BAR_CODE_NO> (39)
3915228

>  <LOCATION_CODE> (39)
PTNCS

>  <AMOUNT_CURRENT> (39)
33.5

$$$$
WAY-312119
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.4828    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103   -0.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    0.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -1.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310   -1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759    0.8586    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  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  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
 13 17  1  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  1  0  0  0  0
  8 10  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C14H15N3O4

>  <MolWeight> (40)
289.2866

>  <PCAT_CMPD_ID> (40)
WAY-312119

>  <CNC_ID> (40)
359315859

>  <transfer_container_id> (40)
PTN000000065

>  <COMPOUND_NUMBER> (40)
WAY-312119

>  <BAR_CODE_NO> (40)
3916697

>  <LOCATION_CODE> (40)
PTNCS

>  <AMOUNT_CURRENT> (40)
33.4

$$$$
WAY-344742
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.6625   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -3.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -3.9042    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  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  3  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 11 16  2  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  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 13  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 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
 11  9  1  0  0  0  0
 23 22  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C18H13N3O2

>  <MolWeight> (41)
303.31472

>  <PCAT_CMPD_ID> (41)
WAY-344742

>  <CNC_ID> (41)
359320054

>  <transfer_container_id> (41)
PTN000000065

>  <COMPOUND_NUMBER> (41)
WAY-344742

>  <BAR_CODE_NO> (41)
2554979

>  <LOCATION_CODE> (41)
PTNCS

>  <AMOUNT_CURRENT> (41)
32.1

$$$$
WAY-344741
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6625   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -3.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -3.9042    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  2  0  0  0  0
  5  2  1  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 16  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 10  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  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 15  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
  3  5  2  0  0  0  0
  9  7  1  0  0  0  0
 24 23  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C18H15N3O3

>  <MolWeight> (42)
321.33

>  <PCAT_CMPD_ID> (42)
WAY-344741

>  <CNC_ID> (42)
359320053

>  <transfer_container_id> (42)
PTN000000065

>  <COMPOUND_NUMBER> (42)
WAY-344741

>  <BAR_CODE_NO> (42)
2554978

>  <LOCATION_CODE> (42)
PTNCS

>  <AMOUNT_CURRENT> (42)
33

$$$$
WAY-344345
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.8542   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -4.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -3.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -7.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -6.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -6.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250  -10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667  -10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -7.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -7.7792    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  8  1  0  0  0  0
  8  9  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  7  2  0  0  0  0
 13  4  2  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 12  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  6  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
  2  3  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C16H18N2O5

>  <MolWeight> (43)
318.32452

>  <PCAT_CMPD_ID> (43)
WAY-344345

>  <CNC_ID> (43)
359319680

>  <transfer_container_id> (43)
PTN000000065

>  <COMPOUND_NUMBER> (43)
WAY-344345

>  <BAR_CODE_NO> (43)
2554525

>  <LOCATION_CODE> (43)
PTNCS

>  <AMOUNT_CURRENT> (43)
32.9

$$$$
WAY-310989
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.9383   -2.5611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9383    0.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6550    2.1182    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8175   -1.0236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758    0.6890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950    2.4181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383    3.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4675   -3.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508   -4.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4008   -1.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5258    5.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1242   -2.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    6.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617   -1.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1242   -4.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800    7.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242    5.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617   -5.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950   -2.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950   -4.3236    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  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  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  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 13  1  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 18  2  0  0  0  0
  6  7  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C13H17N3O2S2

>  <MolWeight> (44)
311.42298

>  <PCAT_CMPD_ID> (44)
WAY-310989

>  <CNC_ID> (44)
359314731

>  <transfer_container_id> (44)
PTN000000065

>  <COMPOUND_NUMBER> (44)
WAY-310989

>  <BAR_CODE_NO> (44)
3915309

>  <LOCATION_CODE> (44)
PTNCS

>  <AMOUNT_CURRENT> (44)
33.5

$$$$
WAY-242732
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5134   -0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5134    0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030   -1.0135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272   -1.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858   -0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9479   -0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858    0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9479    0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349   -1.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237   -2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237   -3.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3487    0.2175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383    1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0521    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659    0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0487    1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4728    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7521    1.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4659    1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  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
 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
  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> (45)
45

>  <Formula> (45)
C19H22N2O3

>  <MolWeight> (45)
326.38958

>  <PCAT_CMPD_ID> (45)
WAY-242732

>  <CNC_ID> (45)
359313997

>  <transfer_container_id> (45)
PTN000000065

>  <COMPOUND_NUMBER> (45)
WAY-242732

>  <BAR_CODE_NO> (45)
3916874

>  <LOCATION_CODE> (45)
PTNCS

>  <AMOUNT_CURRENT> (45)
33.7

$$$$
WAY-311525
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1483    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    1.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862    2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -2.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2655    1.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    3.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -0.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2207    2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862    4.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4724   -2.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4724   -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  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  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
 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 10  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C19H19NO5

>  <MolWeight> (46)
341.35786

>  <PCAT_CMPD_ID> (46)
WAY-311525

>  <CNC_ID> (46)
359315266

>  <transfer_container_id> (46)
PTN000000065

>  <COMPOUND_NUMBER> (46)
WAY-311525

>  <BAR_CODE_NO> (46)
3915920

>  <LOCATION_CODE> (46)
PTNCS

>  <AMOUNT_CURRENT> (46)
33.2

$$$$
WAY-343581
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.7917   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -4.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -3.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -4.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -4.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -5.5167    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  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 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15  7  1  0  0  0  0
  5  6  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C10H11N3OS

>  <MolWeight> (47)
221.27884

>  <PCAT_CMPD_ID> (47)
WAY-343581

>  <CNC_ID> (47)
359318991

>  <transfer_container_id> (47)
PTN000000065

>  <COMPOUND_NUMBER> (47)
WAY-343581

>  <BAR_CODE_NO> (47)
2553855

>  <LOCATION_CODE> (47)
PTNCS

>  <AMOUNT_CURRENT> (47)
32.4

$$$$
WAY-330793
csChFnd80/11182011152D

 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
   14.9000   -2.0625    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
   12.0500   -6.4125    0.0000 O   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
   14.3000   -4.9375    0.0000 C   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
   12.3625   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -5.2875    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
    4.0125   -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  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  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  8  1  0  0  0  0
 13  5  1  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 14  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 15  1  0  0  0  0
  3  5  2  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (48)
48

>  <Formula> (48)
C17H20N2O2

>  <MolWeight> (48)
284.3529

>  <PCAT_CMPD_ID> (48)
WAY-330793

>  <CNC_ID> (48)
359318148

>  <transfer_container_id> (48)
PTN000000075

>  <COMPOUND_NUMBER> (48)
WAY-330793

>  <BAR_CODE_NO> (48)
2560245

>  <LOCATION_CODE> (48)
PTNCS

>  <AMOUNT_CURRENT> (48)
32.8

$$$$
WAY-330790
csChFnd80/11182011152D

 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
   14.9000   -2.0625    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
    8.0000   -4.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -4.0708    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
    7.3250   -5.2625    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
   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
    8.0375   -6.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -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
    5.9875   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -4.0708    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13  7  2  0  0  0  0
 14  2  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
  3  5  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C16H17ClN2O2

>  <MolWeight> (49)
304.77138

>  <PCAT_CMPD_ID> (49)
WAY-330790

>  <CNC_ID> (49)
359318145

>  <transfer_container_id> (49)
PTN000000075

>  <COMPOUND_NUMBER> (49)
WAY-330790

>  <BAR_CODE_NO> (49)
2558616

>  <LOCATION_CODE> (49)
PTNCS

>  <AMOUNT_CURRENT> (49)
32.7

$$$$
WAY-344637
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   13.9875   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -9.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -6.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -7.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -5.4125    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  9  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 13  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  6  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  2  0  0  0  0
 20  4  1  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
  2  3  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C17H20N2O4

>  <MolWeight> (50)
316.3517

>  <PCAT_CMPD_ID> (50)
WAY-344637

>  <CNC_ID> (50)
359319954

>  <transfer_container_id> (50)
PTN000000065

>  <COMPOUND_NUMBER> (50)
WAY-344637

>  <BAR_CODE_NO> (50)
2554863

>  <LOCATION_CODE> (50)
PTNCS

>  <AMOUNT_CURRENT> (50)
32.7

$$$$
WAY-310941
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.5513   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5548    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2651   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2651   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8341   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1237    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8444    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038    0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0107    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0107   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280   -0.2138    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
 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
  7 10  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C13H18N2O2

>  <MolWeight> (51)
234.29422

>  <PCAT_CMPD_ID> (51)
WAY-310941

>  <CNC_ID> (51)
359314683

>  <transfer_container_id> (51)
PTN000000065

>  <COMPOUND_NUMBER> (51)
WAY-310941

>  <BAR_CODE_NO> (51)
3915248

>  <LOCATION_CODE> (51)
PTNCS

>  <AMOUNT_CURRENT> (51)
33.5

$$$$
WAY-311740
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.2414    0.7828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9000    0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172   -0.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -1.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000    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  1  0  0  0  0
  1  4  1  0  0  0  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
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  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 29  1  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C24H27N3O4

>  <MolWeight> (52)
421.48888

>  <PCAT_CMPD_ID> (52)
WAY-311740

>  <CNC_ID> (52)
359315481

>  <transfer_container_id> (52)
PTN000000065

>  <COMPOUND_NUMBER> (52)
WAY-311740

>  <BAR_CODE_NO> (52)
3916222

>  <LOCATION_CODE> (52)
PTNCS

>  <AMOUNT_CURRENT> (52)
33.4

$$$$
WAY-310935
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.2655   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -2.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    0.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552   -3.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -3.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -2.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    1.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    2.9966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0759    1.8138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0759    2.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    3.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    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  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  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
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C17H26N2O2

>  <MolWeight> (53)
290.40054

>  <PCAT_CMPD_ID> (53)
WAY-310935

>  <CNC_ID> (53)
359314677

>  <transfer_container_id> (53)
PTN000000065

>  <COMPOUND_NUMBER> (53)
WAY-310935

>  <BAR_CODE_NO> (53)
3915240

>  <LOCATION_CODE> (53)
PTNCS

>  <AMOUNT_CURRENT> (53)
33.8

$$$$
WAY-344607
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.5236   -1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512   -2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0857   -1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1892   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236    1.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1892   -2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -4.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8478   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8478   -2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764   -1.4620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650    0.8967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0857    1.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0857   -4.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350   -1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9419   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039   -0.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2660    1.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039    2.6104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8281    1.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9419    2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350    1.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350    3.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6419    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108    3.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271    2.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3581    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C23H20N2O3

>  <MolWeight> (54)
372.4165

>  <PCAT_CMPD_ID> (54)
WAY-344607

>  <CNC_ID> (54)
359319924

>  <transfer_container_id> (54)
PTN000000065

>  <COMPOUND_NUMBER> (54)
WAY-344607

>  <BAR_CODE_NO> (54)
2554853

>  <LOCATION_CODE> (54)
PTNCS

>  <AMOUNT_CURRENT> (54)
32.3

$$$$
WAY-217565
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.6999   -0.1688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5689   -0.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5206    1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930    1.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0998    0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9689   -1.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9998    0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3101   -0.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4692   -0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554   -0.7895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002    0.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0692   -0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8519   -0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1554    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692   -0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899    0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4519   -0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795    0.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  4  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
 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
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C17H21N3O2

>  <MolWeight> (55)
299.36754

>  <PCAT_CMPD_ID> (55)
WAY-217565

>  <CNC_ID> (55)
359313807

>  <transfer_container_id> (55)
PTN000000065

>  <COMPOUND_NUMBER> (55)
WAY-217565

>  <BAR_CODE_NO> (55)
3916359

>  <LOCATION_CODE> (55)
PTNCS

>  <AMOUNT_CURRENT> (55)
33.3

$$$$
GI-559373
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.3348    0.6540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3132    1.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882    1.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6997   -0.2040    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7011   -2.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416    1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051    3.3432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5368    1.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5368   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9449   -1.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3112    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8403   -2.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3105   -0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8389    0.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -3.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5923   -1.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5923    1.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4510   -2.8724    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
 17 20  1  0  0  0  0
 18 21  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> (56)
56

>  <Formula> (56)
C15H18N2O4

>  <MolWeight> (56)
290.31442

>  <PCAT_CMPD_ID> (56)
GI-559373

>  <CNC_ID> (56)
359326783

>  <transfer_container_id> (56)
PTN000000067

>  <COMPOUND_NUMBER> (56)
GI-559373

>  <BAR_CODE_NO> (56)
3917489

>  <LOCATION_CODE> (56)
PTNCS

>  <AMOUNT_CURRENT> (56)
33.9

$$$$
WAY-345366
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6292   -8.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7000   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500  -10.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7292   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542  -10.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -9.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -7.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000  -11.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542  -10.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917  -11.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -9.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -9.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417  -12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917  -11.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500  -12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042  -13.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000  -13.3167    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  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 17  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  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 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20  2  1  0  0  0  0
 21  2  1  0  0  0  0
 22 10  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  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 24  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  2  0  0  0  0
 19 17  1  0  0  0  0
 25 29  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C22H27N3O4S

>  <MolWeight> (57)
429.53248

>  <PCAT_CMPD_ID> (57)
WAY-345366

>  <CNC_ID> (57)
359320637

>  <transfer_container_id> (57)
PTN000000065

>  <COMPOUND_NUMBER> (57)
WAY-345366

>  <BAR_CODE_NO> (57)
2555562

>  <LOCATION_CODE> (57)
PTNCS

>  <AMOUNT_CURRENT> (57)
32.5

$$$$
WAY-312899
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.3759   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -1.7862    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    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  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
  9 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  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 12  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C18H16BrN3O2

>  <MolWeight> (58)
386.24254

>  <PCAT_CMPD_ID> (58)
WAY-312899

>  <CNC_ID> (58)
359327936

>  <transfer_container_id> (58)
PTN000000067

>  <COMPOUND_NUMBER> (58)
WAY-312899

>  <BAR_CODE_NO> (58)
3917628

>  <LOCATION_CODE> (58)
PTNCS

>  <AMOUNT_CURRENT> (58)
33.7

$$$$
WAY-313142
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.6414    1.2931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9931    1.4310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1414    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -1.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -0.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -1.6241    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  2  0  0  0  0
  3  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  2  0  0  0  0
  8 12  1  0  0  0  0
 10 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  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
 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
  2  4  1  0  0  0  0
 11 13  1  0  0  0  0
 17 19  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C19H16BrN3O2

>  <MolWeight> (59)
398.25324

>  <PCAT_CMPD_ID> (59)
WAY-313142

>  <CNC_ID> (59)
359328178

>  <transfer_container_id> (59)
PTN000000067

>  <COMPOUND_NUMBER> (59)
WAY-313142

>  <BAR_CODE_NO> (59)
3917945

>  <LOCATION_CODE> (59)
PTNCS

>  <AMOUNT_CURRENT> (59)
33.2

$$$$
WAY-119752
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.9453    0.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6971    0.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7902   -0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419    0.9173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3695    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695   -0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453   -0.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6281    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1419    1.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1212    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5419    1.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591   -1.1033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1719    0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2074    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2547   -1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5581   -1.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4926   -0.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    0.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7581   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202    0.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7581   -0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202   -1.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4719    0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4719   -1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1788   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1788   -0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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
 24 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  1  0  0  0  0
 22 24  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C21H18N4O4

>  <MolWeight> (60)
390.39202

>  <PCAT_CMPD_ID> (60)
WAY-119752

>  <CNC_ID> (60)
359313748

>  <transfer_container_id> (60)
PTN000000065

>  <COMPOUND_NUMBER> (60)
WAY-119752

>  <BAR_CODE_NO> (60)
3914980

>  <LOCATION_CODE> (60)
PTNCS

>  <AMOUNT_CURRENT> (60)
33.3

$$$$
WAY-222039
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230    6.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230    3.4894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    4.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    3.4894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    7.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    7.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631    6.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230    2.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    6.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    3.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8690    7.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6662    5.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4419    7.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6379    8.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8831    6.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0649    8.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0510    9.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8268   10.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    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  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  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 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 22  1  0  0  0  0
 27 23  1  0  0  0  0
  6  4  1  0  0  0  0
 20 16  2  0  0  0  0
 15 25  1  0  0  0  0
M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C21H26N2O4

>  <MolWeight> (61)
370.44214

>  <PCAT_CMPD_ID> (61)
WAY-222039

>  <CNC_ID> (61)
359313836

>  <transfer_container_id> (61)
PTN000000065

>  <COMPOUND_NUMBER> (61)
WAY-222039

>  <BAR_CODE_NO> (61)
3916872

>  <LOCATION_CODE> (61)
PTNCS

>  <AMOUNT_CURRENT> (61)
33.5

$$$$
WAY-310759
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4069   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310   -1.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -1.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    1.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    3.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    3.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345   -1.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    0.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  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> (62)
62

>  <Formula> (62)
C18H28N6O3

>  <MolWeight> (62)
376.45332

>  <PCAT_CMPD_ID> (62)
WAY-310759

>  <CNC_ID> (62)
359314500

>  <transfer_container_id> (62)
PTN000000065

>  <COMPOUND_NUMBER> (62)
WAY-310759

>  <BAR_CODE_NO> (62)
3915027

>  <LOCATION_CODE> (62)
PTNCS

>  <AMOUNT_CURRENT> (62)
33.1

$$$$
WAY-311341
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.2621    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -0.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103    1.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    1.4414    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
    1.1655   -0.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379   -2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -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  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
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 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
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  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  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C25H28N6O2

>  <MolWeight> (63)
444.52882

>  <PCAT_CMPD_ID> (63)
WAY-311341

>  <CNC_ID> (63)
359315082

>  <transfer_container_id> (63)
PTN000000065

>  <COMPOUND_NUMBER> (63)
WAY-311341

>  <BAR_CODE_NO> (63)
3915717

>  <LOCATION_CODE> (63)
PTNCS

>  <AMOUNT_CURRENT> (63)
33.2

$$$$
WAY-247613
csChFnd80/11182011152D

 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
    0.9833    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    0.8708    0.0000 N   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
    0.0125    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
    2.4792    1.1708    0.0000 C   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
    2.4792    0.0000    0.0000 N   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
   -0.5083    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.7708    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
    4.0292    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458    2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625    0.9042    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  8  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  6  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  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  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 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  2  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 24  1  0  0  0  0
 29 26  1  0  0  0  0
  7  5  1  0  0  0  0
  6  9  1  0  0  0  0
 28 27  2  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C22H23N5O2

>  <MolWeight> (64)
389.45032

>  <PCAT_CMPD_ID> (64)
WAY-247613

>  <CNC_ID> (64)
359314009

>  <transfer_container_id> (64)
PTN000000065

>  <COMPOUND_NUMBER> (64)
WAY-247613

>  <BAR_CODE_NO> (64)
3915379

>  <LOCATION_CODE> (64)
PTNCS

>  <AMOUNT_CURRENT> (64)
33.6

$$$$
WAY-310476
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.2958   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.3333    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
   -3.1208    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9208    0.5333    0.0000 C   0  0  0  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  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  4  2  0  0  0  0
 11  8  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14  3  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  8  1  0  0  0  0
 19 11  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 22  1  0  0  0  0
  5  6  2  0  0  0  0
 20 21  1  0  0  0  0
 11 13  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C19H17N3O

>  <MolWeight> (65)
303.35778

>  <PCAT_CMPD_ID> (65)
WAY-310476

>  <CNC_ID> (65)
359314217

>  <transfer_container_id> (65)
PTN000000065

>  <COMPOUND_NUMBER> (65)
WAY-310476

>  <BAR_CODE_NO> (65)
3914697

>  <LOCATION_CODE> (65)
PTNCS

>  <AMOUNT_CURRENT> (65)
33.9

$$$$
WAY-311938
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2069   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -1.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931   -0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724    1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517    0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 12 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
 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  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C20H22N4O2

>  <MolWeight> (66)
350.41428

>  <PCAT_CMPD_ID> (66)
WAY-311938

>  <CNC_ID> (66)
359315679

>  <transfer_container_id> (66)
PTN000000065

>  <COMPOUND_NUMBER> (66)
WAY-311938

>  <BAR_CODE_NO> (66)
3916477

>  <LOCATION_CODE> (66)
PTNCS

>  <AMOUNT_CURRENT> (66)
33.2

$$$$
WAY-312830
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.5649    0.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7063   -0.1465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649    1.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959   -0.1258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270    0.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937   -1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3959    2.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0890   -0.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937   -2.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558   -0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420   -1.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868    0.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420   -0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5041    0.3328    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5041    1.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3351   -0.1465    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
  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
  7 11  1  0  0  0  0
  8 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
 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  2  0  0  0  0
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C14H13N3O3S

>  <MolWeight> (67)
303.33632

>  <PCAT_CMPD_ID> (67)
WAY-312830

>  <CNC_ID> (67)
359327867

>  <transfer_container_id> (67)
PTN000000067

>  <COMPOUND_NUMBER> (67)
WAY-312830

>  <BAR_CODE_NO> (67)
3917549

>  <LOCATION_CODE> (67)
PTNCS

>  <AMOUNT_CURRENT> (67)
33.9

$$$$
WAY-313347
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.0814    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434    0.6074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814   -0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607    0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607    0.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2227    1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434   -0.4926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607   -0.6098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607    0.4074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607    1.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393    0.0695    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6814    1.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607   -1.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773   -0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4814    2.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8607   -0.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6566   -0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9434    2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1773    2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945   -1.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945    0.0695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6566   -1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6773   -1.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945   -2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186   -1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6773   -2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  1  0  0  0  0
 18 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
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C19H22N4O3S

>  <MolWeight> (68)
386.46798

>  <PCAT_CMPD_ID> (68)
WAY-313347

>  <CNC_ID> (68)
359328383

>  <transfer_container_id> (68)
PTN000000067

>  <COMPOUND_NUMBER> (68)
WAY-313347

>  <BAR_CODE_NO> (68)
3918226

>  <LOCATION_CODE> (68)
PTNCS

>  <AMOUNT_CURRENT> (68)
33.1

$$$$
WAY-312716
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2276   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.8069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    1.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    1.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -0.8276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621   -0.8172    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  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
 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
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C18H20N2O3S2

>  <MolWeight> (69)
376.493

>  <PCAT_CMPD_ID> (69)
WAY-312716

>  <CNC_ID> (69)
359327753

>  <transfer_container_id> (69)
PTN000000067

>  <COMPOUND_NUMBER> (69)
WAY-312716

>  <BAR_CODE_NO> (69)
3917399

>  <LOCATION_CODE> (69)
PTNCS

>  <AMOUNT_CURRENT> (69)
33.9

$$$$
WAY-310829
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.0273    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1066   -0.5760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7135    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7204    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790    1.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790    0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7204    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -1.3863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9652   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5727    0.1654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790    1.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9583   -1.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210    0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210    1.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5589    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555   -0.5760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0589   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7175    1.2102    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8106   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0589   -1.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1865   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8106   -1.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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  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
 26 28  2  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
 22 24  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C21H12ClN3O2S

>  <MolWeight> (70)
405.85688

>  <PCAT_CMPD_ID> (70)
WAY-310829

>  <CNC_ID> (70)
359314571

>  <transfer_container_id> (70)
PTN000000065

>  <COMPOUND_NUMBER> (70)
WAY-310829

>  <BAR_CODE_NO> (70)
3915109

>  <LOCATION_CODE> (70)
PTNCS

>  <AMOUNT_CURRENT> (70)
33.7

$$$$
WAY-227272
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.1608    2.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    1.3166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    3.6107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608    2.4941    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2330    3.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6272    3.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5164    4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2774    1.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6106    6.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2106    6.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3328    4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2828    7.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6993    7.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4493    6.2272    0.0000 C   0  0  0  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  1  0  0  0  0
  8  7  2  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  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14  2  1  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
  5  6  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C13H16N2O2

>  <MolWeight> (71)
232.27834

>  <PCAT_CMPD_ID> (71)
WAY-227272

>  <CNC_ID> (71)
359313866

>  <transfer_container_id> (71)
PTN000000065

>  <COMPOUND_NUMBER> (71)
WAY-227272

>  <BAR_CODE_NO> (71)
3916777

>  <LOCATION_CODE> (71)
PTNCS

>  <AMOUNT_CURRENT> (71)
33.8

$$$$
WAY-312922
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.6897    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    1.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138    2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379    1.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6862   -0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310   -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  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
  8 13  1  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
 13 17  1  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
 17 21  1  0  0  0  0
 19 22  1  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  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
 31 32  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  1  0  0  0  0
 20 22  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C25H20N4O3

>  <MolWeight> (72)
424.4513

>  <PCAT_CMPD_ID> (72)
WAY-312922

>  <CNC_ID> (72)
359327959

>  <transfer_container_id> (72)
PTN000000067

>  <COMPOUND_NUMBER> (72)
WAY-312922

>  <BAR_CODE_NO> (72)
3917661

>  <LOCATION_CODE> (72)
PTNCS

>  <AMOUNT_CURRENT> (72)
33.6

$$$$
WAY-114400
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.0142   -0.3813    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517   -0.3688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2983    0.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4858    0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8309   -0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275   -0.4396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0309   -1.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0017    0.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -0.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0983    1.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6733    1.5979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3650    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2400    1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392    0.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5400   -0.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9233   -1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9733    0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8600   -1.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0184   -1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7850    1.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7934    0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9059   -0.6938    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 16  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  4  2  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  5  2  0  0  0  0
 15  5  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19  2  1  0  0  0  0
 20  2  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
 16 18  1  0  0  0  0
 23 24  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C17H20N2O4S

>  <MolWeight> (73)
348.4167

>  <PCAT_CMPD_ID> (73)
WAY-114400

>  <CNC_ID> (73)
359340035

>  <transfer_container_id> (73)
PTN000000068

>  <COMPOUND_NUMBER> (73)
WAY-114400

>  <BAR_CODE_NO> (73)
3897529

>  <LOCATION_CODE> (73)
PTNCS

>  <AMOUNT_CURRENT> (73)
33

$$$$
WAY-116314
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.5964    0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5101    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9067   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8722    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1964    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067   -1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7619    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933    0.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2899    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6174   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5174   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7174    0.1828    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
  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
  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  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
 21 22  1  0  0  0  0
  5  6  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C17H21N3O2

>  <MolWeight> (74)
299.36754

>  <PCAT_CMPD_ID> (74)
WAY-116314

>  <CNC_ID> (74)
359340057

>  <transfer_container_id> (74)
PTN000000068

>  <COMPOUND_NUMBER> (74)
WAY-116314

>  <BAR_CODE_NO> (74)
3899086

>  <LOCATION_CODE> (74)
PTNCS

>  <AMOUNT_CURRENT> (74)
33.3

$$$$
WAY-118466-A
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5520   -9.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090   -8.8360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7415   -6.8160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520  -11.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800   -9.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090   -6.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3335   -8.8360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800   -5.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7415   -8.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090  -12.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090  -14.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3335  -12.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3335  -14.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5520  -15.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5225   -5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -4.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175   -4.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -2.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5225   -2.2785    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  1  2  0  0  0  0
  8  6  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 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  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 20  1  0  0  0  0
  3  9  1  0  0  0  0
 16 12  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C17H23FN2O

>  <MolWeight> (75)
290.3757232

>  <PCAT_CMPD_ID> (75)
WAY-118466-A

>  <CNC_ID> (75)
359340095

>  <transfer_container_id> (75)
PTN000000068

>  <COMPOUND_NUMBER> (75)
WAY-118466-A

>  <BAR_CODE_NO> (75)
3897768

>  <LOCATION_CODE> (75)
PTNCS

>  <AMOUNT_CURRENT> (75)
33.2

$$$$
WAY-229809
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.9887   -1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232   -1.9753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9887   -0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1646   -1.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232   -2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473   -1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3404   -1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439   -3.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4749   -1.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3404   -0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4749   -2.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975   -0.0546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975    0.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3232    1.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1527    0.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285    2.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9837    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1561    2.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9837    2.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8147    0.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8147    2.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8147   -0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8147    3.7764    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  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  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  1  0  0  0  0
 23 25  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C19H22N2O4

>  <MolWeight> (76)
342.38898

>  <PCAT_CMPD_ID> (76)
WAY-229809

>  <CNC_ID> (76)
359340210

>  <transfer_container_id> (76)
PTN000000068

>  <COMPOUND_NUMBER> (76)
WAY-229809

>  <BAR_CODE_NO> (76)
3897728

>  <LOCATION_CODE> (76)
PTNCS

>  <AMOUNT_CURRENT> (76)
33.2

$$$$
WAY-231699-A
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.6245    2.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    3.8538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066    1.5048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    3.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1527    5.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717    2.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    6.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193    5.8671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2943    0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    7.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    3.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7631    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6627    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9137    0.0000 C   0  0  0  0  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  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 12  2  0  0  0  0
 17 13  2  0  0  0  0
  4  5  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C12H15N3O2

>  <MolWeight> (77)
233.2664

>  <PCAT_CMPD_ID> (77)
WAY-231699-A

>  <CNC_ID> (77)
359340238

>  <transfer_container_id> (77)
PTN000000068

>  <COMPOUND_NUMBER> (77)
WAY-231699-A

>  <BAR_CODE_NO> (77)
3899218

>  <LOCATION_CODE> (77)
PTNCS

>  <AMOUNT_CURRENT> (77)
33.3

$$$$
WAY-233176
csChFnd80/11182011152D

 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> (78)
78

>  <Formula> (78)
C20H17NO

>  <MolWeight> (78)
287.35508

>  <PCAT_CMPD_ID> (78)
WAY-233176

>  <CNC_ID> (78)
359340254

>  <transfer_container_id> (78)
PTN000000068

>  <COMPOUND_NUMBER> (78)
WAY-233176

>  <BAR_CODE_NO> (78)
3898160

>  <LOCATION_CODE> (78)
PTNCS

>  <AMOUNT_CURRENT> (78)
33.2

$$$$
WAY-233343
csChFnd80/11182011152D

 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> (79)
79

>  <Formula> (79)
C11H9N3O2S

>  <MolWeight> (79)
247.27306

>  <PCAT_CMPD_ID> (79)
WAY-233343

>  <CNC_ID> (79)
359340261

>  <transfer_container_id> (79)
PTN000000068

>  <COMPOUND_NUMBER> (79)
WAY-233343

>  <BAR_CODE_NO> (79)
3898064

>  <LOCATION_CODE> (79)
PTNCS

>  <AMOUNT_CURRENT> (79)
33.2

$$$$
WAY-234586-A
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6086   -0.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1169    0.5136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1294   -0.8322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6706    0.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3669    1.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -0.1489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    1.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794    0.6678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794   -1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1664   -2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0961   -3.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5961    2.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831    0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    2.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039   -0.5822    0.0000 C   0  0  0  0  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 10  1  0  0  0  0
 12 11  2  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 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
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C13H15N3O2

>  <MolWeight> (80)
245.2771

>  <PCAT_CMPD_ID> (80)
WAY-234586-A

>  <CNC_ID> (80)
359340272

>  <transfer_container_id> (80)
PTN000000068

>  <COMPOUND_NUMBER> (80)
WAY-234586-A

>  <BAR_CODE_NO> (80)
3898553

>  <LOCATION_CODE> (80)
PTNCS

>  <AMOUNT_CURRENT> (80)
33.4

$$$$
WAY-237938
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.8519   -0.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274    0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174    0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -1.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964   -0.4485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274    1.5929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312   -2.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6757    0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899   -1.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519    0.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9688    1.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8481   -0.4485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3381    1.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3101    1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8619    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C11H11NO2S2

>  <MolWeight> (81)
253.34054

>  <PCAT_CMPD_ID> (81)
WAY-237938

>  <CNC_ID> (81)
359340315

>  <transfer_container_id> (81)
PTN000000068

>  <COMPOUND_NUMBER> (81)
WAY-237938

>  <BAR_CODE_NO> (81)
3899094

>  <LOCATION_CODE> (81)
PTNCS

>  <AMOUNT_CURRENT> (81)
33.1

$$$$
WAY-238384
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5379   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379   -1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    1.5239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    0.4274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    1.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -1.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    1.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -1.7243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -0.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -2.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621    0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276   -0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  7 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
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C15H21NO2S

>  <MolWeight> (82)
279.39774

>  <PCAT_CMPD_ID> (82)
WAY-238384

>  <CNC_ID> (82)
359340323

>  <transfer_container_id> (82)
PTN000000068

>  <COMPOUND_NUMBER> (82)
WAY-238384

>  <BAR_CODE_NO> (82)
3898807

>  <LOCATION_CODE> (82)
PTNCS

>  <AMOUNT_CURRENT> (82)
33.3

$$$$
WAY-239137
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.0414   -2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -2.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -2.8139    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069   -2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -1.4449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -3.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -4.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0483   -2.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897   -1.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0483    0.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3966   -2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138   -0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069    1.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3966   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690    1.3482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897    2.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    4.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    2.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414    5.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5828    4.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    5.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 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 10  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C18H20N2O4S

>  <MolWeight> (83)
360.4274

>  <PCAT_CMPD_ID> (83)
WAY-239137

>  <CNC_ID> (83)
359340331

>  <transfer_container_id> (83)
PTN000000068

>  <COMPOUND_NUMBER> (83)
WAY-239137

>  <BAR_CODE_NO> (83)
3897493

>  <LOCATION_CODE> (83)
PTNCS

>  <AMOUNT_CURRENT> (83)
33.3

$$$$
WAY-239245
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.8505  -10.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740  -10.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4020  -11.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5550  -12.4980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7010  -11.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0710   -9.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0180   -9.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4945   -9.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0460  -12.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4415   -8.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5730   -7.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1850  -10.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7225   -8.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5730  -10.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5340  -13.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3165  -14.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3165  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785  -12.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6085   -9.3165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7760   -8.1995    0.0000 C   0  0  0  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  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  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 15  1  0  0  0  0
 17 16  2  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
  4  5  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C15H15NO4

>  <MolWeight> (84)
273.2839

>  <PCAT_CMPD_ID> (84)
WAY-239245

>  <CNC_ID> (84)
359340334

>  <transfer_container_id> (84)
PTN000000068

>  <COMPOUND_NUMBER> (84)
WAY-239245

>  <BAR_CODE_NO> (84)
3898481

>  <LOCATION_CODE> (84)
PTNCS

>  <AMOUNT_CURRENT> (84)
33.5

$$$$
WAY-239691-A
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4210   -1.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382   -1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928   -1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210   -0.3278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382   -2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6727   -1.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928   -2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928    0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210   -2.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831   -1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997   -0.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210   -3.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997    1.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1928   -3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997    1.7965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4135    2.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0727    2.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5169    2.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    3.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  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
 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
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C17H26N2O3

>  <MolWeight> (85)
306.39994

>  <PCAT_CMPD_ID> (85)
WAY-239691-A

>  <CNC_ID> (85)
359340348

>  <transfer_container_id> (85)
PTN000000068

>  <COMPOUND_NUMBER> (85)
WAY-239691-A

>  <BAR_CODE_NO> (85)
3898814

>  <LOCATION_CODE> (85)
PTNCS

>  <AMOUNT_CURRENT> (85)
33.5

$$$$
WAY-296513
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.8966    0.3276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1034    0.0034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4621   -0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -1.0345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0897    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -1.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621    2.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -2.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897   -0.5586    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
   -2.6138   -2.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0103    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2379   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7862   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8172   -0.6586    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  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  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
 11 18  2  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
 15 22  1  0  0  0  0
 16 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
 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  7  1  0  0  0  0
 11 12  1  0  0  0  0
 17 23  2  0  0  0  0
 22 26  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C23H18FN3O3

>  <MolWeight> (86)
403.4057232

>  <PCAT_CMPD_ID> (86)
WAY-296513

>  <CNC_ID> (86)
359342957

>  <transfer_container_id> (86)
PTN000000068

>  <COMPOUND_NUMBER> (86)
WAY-296513

>  <BAR_CODE_NO> (86)
3897325

>  <LOCATION_CODE> (86)
PTNCS

>  <AMOUNT_CURRENT> (86)
33.2

$$$$
WAY-296514
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.1690   -1.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.9655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3034   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9690   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138    0.3138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3138   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1345   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    1.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0655    3.2931    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
 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  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  9  1  0  0  0  0
 13 15  1  0  0  0  0
 20 21  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C20H20FN3O3

>  <MolWeight> (87)
369.3895032

>  <PCAT_CMPD_ID> (87)
WAY-296514

>  <CNC_ID> (87)
359342958

>  <transfer_container_id> (87)
PTN000000068

>  <COMPOUND_NUMBER> (87)
WAY-296514

>  <BAR_CODE_NO> (87)
3897326

>  <LOCATION_CODE> (87)
PTNCS

>  <AMOUNT_CURRENT> (87)
33.4

$$$$
WAY-296662
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.9911   -0.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1462    0.0444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6014   -1.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7503   -0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3117    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7980   -1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710   -1.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607   -0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3566    0.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8428   -0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020   -0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572    1.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365    2.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1186    0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124   -0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7779    0.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503   -1.1245    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  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
 11 15  1  0  0  0  0
 11 16  2  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  2  0  0  0  0
  5  9  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C15H15NO4

>  <MolWeight> (88)
273.2839

>  <PCAT_CMPD_ID> (88)
WAY-296662

>  <CNC_ID> (88)
359343106

>  <transfer_container_id> (88)
PTN000000068

>  <COMPOUND_NUMBER> (88)
WAY-296662

>  <BAR_CODE_NO> (88)
3897511

>  <LOCATION_CODE> (88)
PTNCS

>  <AMOUNT_CURRENT> (88)
33.1

$$$$
WAY-296715
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.1517    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.7414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -1.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034    0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    0.0172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2966    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    1.2690    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  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
 17 22  1  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
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 12 17  2  0  0  0  0
 20 23  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C20H22ClN3O4S

>  <MolWeight> (89)
435.92438

>  <PCAT_CMPD_ID> (89)
WAY-296715

>  <CNC_ID> (89)
359343159

>  <transfer_container_id> (89)
PTN000000068

>  <COMPOUND_NUMBER> (89)
WAY-296715

>  <BAR_CODE_NO> (89)
3897581

>  <LOCATION_CODE> (89)
PTNCS

>  <AMOUNT_CURRENT> (89)
33.1

$$$$
WAY-296773
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0414    0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.1241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -0.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    2.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172    2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -3.9759    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
  4 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
  5 10  1  0  0  0  0
 13 16  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C14H11BrN2O2S

>  <MolWeight> (90)
351.21834

>  <PCAT_CMPD_ID> (90)
WAY-296773

>  <CNC_ID> (90)
359343217

>  <transfer_container_id> (90)
PTN000000068

>  <COMPOUND_NUMBER> (90)
WAY-296773

>  <BAR_CODE_NO> (90)
3897661

>  <LOCATION_CODE> (90)
PTNCS

>  <AMOUNT_CURRENT> (90)
33.2

$$$$
WAY-296781
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.2625    6.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881    4.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631    5.0654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744    4.1685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642    6.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6395    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9850    7.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    7.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5844    6.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528    9.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9611    8.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290   10.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5744    9.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9071    4.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216    2.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3634    6.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625    5.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082    7.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8506   11.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5506   10.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5088    2.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8094   12.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1722   12.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554    0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4736    0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426    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  2  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  8  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 12  2  0  0  0  0
 14  2  2  0  0  0  0
 15  4  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18  3  1  0  0  0  0
 19  5  1  0  0  0  0
 20 12  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 20  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 26  1  0  0  0  0
  3  4  1  0  0  0  0
 11 13  1  0  0  0  0
 27 28  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C21H17N3O4

>  <MolWeight> (91)
375.37738

>  <PCAT_CMPD_ID> (91)
WAY-296781

>  <CNC_ID> (91)
359343225

>  <transfer_container_id> (91)
PTN000000068

>  <COMPOUND_NUMBER> (91)
WAY-296781

>  <BAR_CODE_NO> (91)
3897669

>  <LOCATION_CODE> (91)
PTNCS

>  <AMOUNT_CURRENT> (91)
33.1

$$$$
WAY-296840
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.5125   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -1.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.2292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.1250    0.0000 C   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
    3.4250   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -4.3417    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
    7.7250   -5.0500    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  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  6  1  0  0  0  0
  9  7  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  6  2  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
  4  5  2  0  0  0  0
 21 19  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C16H13FN2OS

>  <MolWeight> (92)
300.3506232

>  <PCAT_CMPD_ID> (92)
WAY-296840

>  <CNC_ID> (92)
359343284

>  <transfer_container_id> (92)
PTN000000068

>  <COMPOUND_NUMBER> (92)
WAY-296840

>  <BAR_CODE_NO> (92)
3897739

>  <LOCATION_CODE> (92)
PTNCS

>  <AMOUNT_CURRENT> (92)
33.4

$$$$
WAY-296917
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.5870   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6215    0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5870   -1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422    0.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6663   -0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5904    1.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6215   -1.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9249   -1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5111   -0.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    1.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6663   -1.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3199    0.3472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5525    2.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578   -0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2199    0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578   -1.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1992   -0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2268    1.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1475    0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2234   -1.3355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2165    1.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1475    1.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1785   -1.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  2  0  0  0  0
 15 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
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C20H17NO2

>  <MolWeight> (93)
303.35448

>  <PCAT_CMPD_ID> (93)
WAY-296917

>  <CNC_ID> (93)
359343361

>  <transfer_container_id> (93)
PTN000000068

>  <COMPOUND_NUMBER> (93)
WAY-296917

>  <BAR_CODE_NO> (93)
3897841

>  <LOCATION_CODE> (93)
PTNCS

>  <AMOUNT_CURRENT> (93)
33.1

$$$$
WAY-296938
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7491    0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7491    1.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    0.1639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7215    0.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    2.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7215    2.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957   -1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560    0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    1.9364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    3.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319    1.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922   -1.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7491   -2.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7215   -1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2819    0.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7215   -3.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319   -1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095   -0.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3440    0.6743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319   -2.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5716   -1.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1336   -0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 11  1  0  0  0  0
 19 22  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C19H16N2O3

>  <MolWeight> (94)
320.34194

>  <PCAT_CMPD_ID> (94)
WAY-296938

>  <CNC_ID> (94)
359343382

>  <transfer_container_id> (94)
PTN000000068

>  <COMPOUND_NUMBER> (94)
WAY-296938

>  <BAR_CODE_NO> (94)
3897866

>  <LOCATION_CODE> (94)
PTNCS

>  <AMOUNT_CURRENT> (94)
33.1

$$$$
WAY-297013
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.6103   -0.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -0.1483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3310   -0.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276   -0.3483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -0.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1310   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -0.2690    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  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  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  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
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C20H20FN3O3S

>  <MolWeight> (95)
401.4545032

>  <PCAT_CMPD_ID> (95)
WAY-297013

>  <CNC_ID> (95)
359343457

>  <transfer_container_id> (95)
PTN000000068

>  <COMPOUND_NUMBER> (95)
WAY-297013

>  <BAR_CODE_NO> (95)
3897969

>  <LOCATION_CODE> (95)
PTNCS

>  <AMOUNT_CURRENT> (95)
33.5

$$$$
WAY-297085
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.0410    0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660    0.7733    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0710    0.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090    1.3613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090    1.4633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4910    0.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850    0.4823    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5660   -0.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660    1.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730    0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5220   -0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -2.7008    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850   -1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850   -1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710    0.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0540    1.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8440    0.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580    0.5992    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
  4  5  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  1  2  0  0  0  0
  8 10  2  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  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  1  0  0  0  0
 18 22  2  0  0  0  0
 19 18  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
 20 23  2  0  0  0  0
 24 14  2  0  0  0  0
 25 14  1  0  0  0  0
 25 26  2  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
 10 16  1  0  0  0  0
 23 18  1  0  0  0  0
  6  7  2  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C20H12ClN3O4

>  <MolWeight> (96)
393.77998

>  <PCAT_CMPD_ID> (96)
WAY-297085

>  <CNC_ID> (96)
359343529

>  <transfer_container_id> (96)
PTN000000068

>  <COMPOUND_NUMBER> (96)
WAY-297085

>  <BAR_CODE_NO> (96)
3898070

>  <LOCATION_CODE> (96)
PTNCS

>  <AMOUNT_CURRENT> (96)
33.1

$$$$
WAY-297149
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.2828   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    0.2517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.2586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -0.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -0.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    1.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    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  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
  7 13  2  0  0  0  0
  7 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
 10 18  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 15 21  2  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
 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
 11 18  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C20H18N2O4S2

>  <MolWeight> (97)
414.49792

>  <PCAT_CMPD_ID> (97)
WAY-297149

>  <CNC_ID> (97)
359343593

>  <transfer_container_id> (97)
PTN000000068

>  <COMPOUND_NUMBER> (97)
WAY-297149

>  <BAR_CODE_NO> (97)
3898144

>  <LOCATION_CODE> (97)
PTNCS

>  <AMOUNT_CURRENT> (97)
33.4

$$$$
WAY-297151
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.8828   -0.0276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8828   -0.9655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6828    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -2.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -2.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -3.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966    1.8069    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.7172    1.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897    2.7310    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
  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  1  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
 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  2  0  0  0  0
 25 27  1  0  0  0  0
  9 10  2  0  0  0  0
 15 18  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C21H19NO5

>  <MolWeight> (98)
365.37926

>  <PCAT_CMPD_ID> (98)
WAY-297151

>  <CNC_ID> (98)
359343595

>  <transfer_container_id> (98)
PTN000000068

>  <COMPOUND_NUMBER> (98)
WAY-297151

>  <BAR_CODE_NO> (98)
3898147

>  <LOCATION_CODE> (98)
PTNCS

>  <AMOUNT_CURRENT> (98)
33.2

$$$$
WAY-297184
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.6310   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -0.5345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2103    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -1.5345    0.0000 N   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
   -2.3724    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    2.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897   -0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724    2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -0.3138    0.0000 O   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
    3.0276    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    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  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
  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
 12 18  1  0  0  0  0
 13 19  2  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
  8 11  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C16H17NO6

>  <MolWeight> (99)
319.30928

>  <PCAT_CMPD_ID> (99)
WAY-297184

>  <CNC_ID> (99)
359343628

>  <transfer_container_id> (99)
PTN000000068

>  <COMPOUND_NUMBER> (99)
WAY-297184

>  <BAR_CODE_NO> (99)
3898197

>  <LOCATION_CODE> (99)
PTNCS

>  <AMOUNT_CURRENT> (99)
33.5

$$$$
WAY-297187
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.4107   -1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3694   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556   -1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3556   -1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556    0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927   -1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3694    0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556   -2.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3556   -2.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927    1.1622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444   -0.4965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927   -2.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3176    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444    0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927   -1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3176    2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3694    2.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3686    1.1380    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065   -2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651    0.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3272    1.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2824    1.7311    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  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
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  3  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> (100)
100

>  <Formula> (100)
C20H21N3OS

>  <MolWeight> (100)
351.46524

>  <PCAT_CMPD_ID> (100)
WAY-297187

>  <CNC_ID> (100)
359343631

>  <transfer_container_id> (100)
PTN000000068

>  <COMPOUND_NUMBER> (100)
WAY-297187

>  <BAR_CODE_NO> (100)
3898201

>  <LOCATION_CODE> (100)
PTNCS

>  <AMOUNT_CURRENT> (100)
33.3

$$$$
WAY-297203
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.1345    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    1.3690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552    2.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345    2.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -0.0690    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
    2.8517   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -3.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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  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
 18 19  1  0  0  0  0
  5  8  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C11H13N5O2S

>  <MolWeight> (101)
279.31822

>  <PCAT_CMPD_ID> (101)
WAY-297203

>  <CNC_ID> (101)
359343647

>  <transfer_container_id> (101)
PTN000000068

>  <COMPOUND_NUMBER> (101)
WAY-297203

>  <BAR_CODE_NO> (101)
3898226

>  <LOCATION_CODE> (101)
PTNCS

>  <AMOUNT_CURRENT> (101)
33.5

$$$$
WAY-297266
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.7378    0.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5102    0.0965    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3171   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3654    1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2827    0.1447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1689    1.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792   -0.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5413   -1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861   -2.0449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5930    1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6309   -0.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7240    1.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1827    0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620   -2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2275    2.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898   -0.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691    0.2344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3932    0.2827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380   -0.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9622    1.3689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2242   -0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4380   -0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6070   -1.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4346    1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0484    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2242   -2.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0380    2.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  3  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
  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
 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
 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
 27 30  1  0  0  0  0
 10 13  2  0  0  0  0
 17 18  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C20H26N2O6S2

>  <MolWeight> (102)
454.56024

>  <PCAT_CMPD_ID> (102)
WAY-297266

>  <CNC_ID> (102)
359343710

>  <transfer_container_id> (102)
PTN000000068

>  <COMPOUND_NUMBER> (102)
WAY-297266

>  <BAR_CODE_NO> (102)
3898333

>  <LOCATION_CODE> (102)
PTNCS

>  <AMOUNT_CURRENT> (102)
33.1

$$$$
WAY-297356
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0931   -0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759   -1.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -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
  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  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
  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> (103)
103

>  <Formula> (103)
C17H20N4

>  <MolWeight> (103)
280.3675

>  <PCAT_CMPD_ID> (103)
WAY-297356

>  <CNC_ID> (103)
359343800

>  <transfer_container_id> (103)
PTN000000068

>  <COMPOUND_NUMBER> (103)
WAY-297356

>  <BAR_CODE_NO> (103)
3898463

>  <LOCATION_CODE> (103)
PTNCS

>  <AMOUNT_CURRENT> (103)
33.1

$$$$
WAY-297435
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.0002   -0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6243   -1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002   -0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519   -0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968   -1.2380    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002   -2.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8140   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588    0.5482    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1243   -1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519   -2.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1623   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5140   -0.4967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1623    0.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377    0.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377    0.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860    1.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377    0.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377   -0.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0653    0.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1998    1.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    1.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
 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
 18 19  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C20H13ClN2O3S

>  <MolWeight> (104)
396.84682

>  <PCAT_CMPD_ID> (104)
WAY-297435

>  <CNC_ID> (104)
359343879

>  <transfer_container_id> (104)
PTN000000068

>  <COMPOUND_NUMBER> (104)
WAY-297435

>  <BAR_CODE_NO> (104)
3898562

>  <LOCATION_CODE> (104)
PTNCS

>  <AMOUNT_CURRENT> (104)
33.4

$$$$
WAY-297436
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1900   -0.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -0.0829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417    0.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417   -1.4449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -1.3035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279   -0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -0.3139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417    0.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417   -2.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    0.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417    0.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417   -1.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963    0.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307    1.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307    0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    1.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    1.6551    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9411   -0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963    0.8689    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
  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> (105)
105

>  <Formula> (105)
C15H13Cl2N5O3

>  <MolWeight> (105)
382.20142

>  <PCAT_CMPD_ID> (105)
WAY-297436

>  <CNC_ID> (105)
359343880

>  <transfer_container_id> (105)
PTN000000068

>  <COMPOUND_NUMBER> (105)
WAY-297436

>  <BAR_CODE_NO> (105)
3898563

>  <LOCATION_CODE> (105)
PTNCS

>  <AMOUNT_CURRENT> (105)
33.4

$$$$
WAY-297504
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.7793    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.2138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724   -0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    0.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  7  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  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  8  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C12H11N3OS

>  <MolWeight> (106)
245.30024

>  <PCAT_CMPD_ID> (106)
WAY-297504

>  <CNC_ID> (106)
359343948

>  <transfer_container_id> (106)
PTN000000068

>  <COMPOUND_NUMBER> (106)
WAY-297504

>  <BAR_CODE_NO> (106)
3898647

>  <LOCATION_CODE> (106)
PTNCS

>  <AMOUNT_CURRENT> (106)
33.3

$$$$
WAY-297604
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5793    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -0.3621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.9448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    0.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    1.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    2.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345   -2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586    2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966   -0.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759   -1.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9207   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
  7 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
 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
 18 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
 19 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C16H16N2O5S

>  <MolWeight> (107)
348.37364

>  <PCAT_CMPD_ID> (107)
WAY-297604

>  <CNC_ID> (107)
359344048

>  <transfer_container_id> (107)
PTN000000068

>  <COMPOUND_NUMBER> (107)
WAY-297604

>  <BAR_CODE_NO> (107)
3898781

>  <LOCATION_CODE> (107)
PTNCS

>  <AMOUNT_CURRENT> (107)
33.3

$$$$
WAY-297605
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.5339    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8615    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1316    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891    2.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5132    0.7931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8075   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4765    2.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1282    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8075   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4592   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1420    2.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1454   -2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4661   -1.5448    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  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  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
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
  8 10  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C15H11FO3

>  <MolWeight> (108)
258.2444432

>  <PCAT_CMPD_ID> (108)
WAY-297605

>  <CNC_ID> (108)
359344049

>  <transfer_container_id> (108)
PTN000000068

>  <COMPOUND_NUMBER> (108)
WAY-297605

>  <BAR_CODE_NO> (108)
3898782

>  <LOCATION_CODE> (108)
PTNCS

>  <AMOUNT_CURRENT> (108)
33.1

$$$$
WAY-297616
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.9195    7.4711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    7.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3045    8.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9195    6.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3438    7.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4507    8.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6436    8.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4838    7.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    6.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1982    6.2254    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3483    6.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0650    7.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1598    9.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6226    5.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0763    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7837    8.3265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3459    9.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3302    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  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
 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
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C15H12ClN3

>  <MolWeight> (109)
269.72888

>  <PCAT_CMPD_ID> (109)
WAY-297616

>  <CNC_ID> (109)
359344060

>  <transfer_container_id> (109)
PTN000000068

>  <COMPOUND_NUMBER> (109)
WAY-297616

>  <BAR_CODE_NO> (109)
3898797

>  <LOCATION_CODE> (109)
PTNCS

>  <AMOUNT_CURRENT> (109)
33.2

$$$$
WAY-297721
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2762    0.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    1.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    1.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238    0.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037   -1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4652    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238   -2.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7244   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762    3.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4652   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7169    0.7961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037   -3.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9348   -1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7169   -1.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1169    0.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0169   -1.9557    0.0000 C   0  0  0  0  0  0  0  0  0  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
 19 21  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C16H23NO4

>  <MolWeight> (110)
293.35812

>  <PCAT_CMPD_ID> (110)
WAY-297721

>  <CNC_ID> (110)
359344165

>  <transfer_container_id> (110)
PTN000000068

>  <COMPOUND_NUMBER> (110)
WAY-297721

>  <BAR_CODE_NO> (110)
3898936

>  <LOCATION_CODE> (110)
PTNCS

>  <AMOUNT_CURRENT> (110)
33.4

$$$$
WAY-297745
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.4034   -1.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4172   -1.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -1.9966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690   -2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -2.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241    1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    2.3310    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  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
  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  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
 22 23  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C17H15NO4S

>  <MolWeight> (111)
329.3703

>  <PCAT_CMPD_ID> (111)
WAY-297745

>  <CNC_ID> (111)
359344189

>  <transfer_container_id> (111)
PTN000000068

>  <COMPOUND_NUMBER> (111)
WAY-297745

>  <BAR_CODE_NO> (111)
3898969

>  <LOCATION_CODE> (111)
PTNCS

>  <AMOUNT_CURRENT> (111)
33.3

$$$$
WAY-297835
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.5276    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    0.9897    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
   -1.8414    0.3034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    2.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    0.9897    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
   -3.3276    2.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2207    0.3034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -1.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828    2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2414    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2586   -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  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  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C12H13NO2S2

>  <MolWeight> (112)
267.36712

>  <PCAT_CMPD_ID> (112)
WAY-297835

>  <CNC_ID> (112)
359344279

>  <transfer_container_id> (112)
PTN000000068

>  <COMPOUND_NUMBER> (112)
WAY-297835

>  <BAR_CODE_NO> (112)
3899095

>  <LOCATION_CODE> (112)
PTNCS

>  <AMOUNT_CURRENT> (112)
33

$$$$
WAY-297843
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.8931   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103   -1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103    1.5793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    1.3690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    1.3690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    1.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5345   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5345   -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  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  1  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
 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
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C17H16F3NO2

>  <MolWeight> (113)
323.3096496

>  <PCAT_CMPD_ID> (113)
WAY-297843

>  <CNC_ID> (113)
359344287

>  <transfer_container_id> (113)
PTN000000068

>  <COMPOUND_NUMBER> (113)
WAY-297843

>  <BAR_CODE_NO> (113)
3899105

>  <LOCATION_CODE> (113)
PTNCS

>  <AMOUNT_CURRENT> (113)
33.2

$$$$
WAY-297862
csChFnd80/11182011152D

 15 18  0  0  0  0  0  0  0  0999 V2000
   -0.0828   -0.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241   -2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2621    0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966    1.3105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    2.9830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -2.8032    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -1.5791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655   -2.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966   -1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241   -0.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    2.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    3.8795    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
  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
  5  9  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C10H8N4S

>  <MolWeight> (114)
216.26232

>  <PCAT_CMPD_ID> (114)
WAY-297862

>  <CNC_ID> (114)
359344306

>  <transfer_container_id> (114)
PTN000000068

>  <COMPOUND_NUMBER> (114)
WAY-297862

>  <BAR_CODE_NO> (114)
3899130

>  <LOCATION_CODE> (114)
PTNCS

>  <AMOUNT_CURRENT> (114)
33.3

$$$$
WAY-297889
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.5586   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -0.6310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -1.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7379   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1241   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483    0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    0.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0241    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0138   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8759    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    2.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2793    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.2448    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  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
 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
 26 29  1  0  0  0  0
  9 12  2  0  0  0  0
 16 17  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C21H26N2O5S

>  <MolWeight> (115)
418.50654

>  <PCAT_CMPD_ID> (115)
WAY-297889

>  <CNC_ID> (115)
359344333

>  <transfer_container_id> (115)
PTN000000068

>  <COMPOUND_NUMBER> (115)
WAY-297889

>  <BAR_CODE_NO> (115)
3899165

>  <LOCATION_CODE> (115)
PTNCS

>  <AMOUNT_CURRENT> (115)
33.1

$$$$
WAY-297936
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.9864   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9864   -1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7864    0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761   -0.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864    0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7864   -1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5864   -0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554    0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5864   -1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5347    1.7450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0964    1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067    1.9347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6067    2.7864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    1.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    1.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067    0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1067    0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -0.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -0.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1136   -1.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -1.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C18H19N3OS

>  <MolWeight> (116)
325.42796

>  <PCAT_CMPD_ID> (116)
WAY-297936

>  <CNC_ID> (116)
359344380

>  <transfer_container_id> (116)
PTN000000068

>  <COMPOUND_NUMBER> (116)
WAY-297936

>  <BAR_CODE_NO> (116)
3899217

>  <LOCATION_CODE> (116)
PTNCS

>  <AMOUNT_CURRENT> (116)
33.1

$$$$
WAY-297987
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.0552    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069    0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6483   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931    0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    1.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897    0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897   -0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
 11 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
 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
  6  8  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C17H20N6O2

>  <MolWeight> (117)
340.3797

>  <PCAT_CMPD_ID> (117)
WAY-297987

>  <CNC_ID> (117)
359344431

>  <transfer_container_id> (117)
PTN000000068

>  <COMPOUND_NUMBER> (117)
WAY-297987

>  <BAR_CODE_NO> (117)
3899293

>  <LOCATION_CODE> (117)
PTNCS

>  <AMOUNT_CURRENT> (117)
33.5

$$$$
WAY-337158
csChFnd80/11182011152D

 29 32  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
   -0.2958    5.8667    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
   -6.7292    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
   -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
   -6.0167    2.5625    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
   -2.4458    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    2.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0042    3.4000    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
   -3.1500    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
   -6.0167    4.2125    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
    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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  6 21  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  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13 24  1  0  0  0  0
 14  5  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  6  1  0  0  0  0
 19  4  2  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22  3  1  0  0  0  0
 23  3  2  0  0  0  0
 24 25  2  0  0  0  0
 25 16  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 28 22  2  0  0  0  0
 29 26  1  0  0  0  0
 28 26  1  0  0  0  0
 20  6  1  0  0  0  0
 13  5  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C19H20ClN3O5S

>  <MolWeight> (118)
437.8972

>  <PCAT_CMPD_ID> (118)
WAY-337158

>  <CNC_ID> (118)
359346414

>  <transfer_container_id> (118)
PTN000000076

>  <COMPOUND_NUMBER> (118)
WAY-337158

>  <BAR_CODE_NO> (118)
2566039

>  <LOCATION_CODE> (118)
PTNCS

>  <AMOUNT_CURRENT> (118)
32.2

$$$$
GI-526726
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0790   -2.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -1.4736    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0790   -3.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086   -1.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505    0.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800   -2.2174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -4.5232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086   -4.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753   -2.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086    0.0883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790    0.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800    0.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800   -3.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753   -3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9096    0.0883    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9096   -4.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1048   -4.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505    3.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505    3.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972    4.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    4.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 13  1  0  0  0  0
 16 20  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C15H15BrN2O5

>  <MolWeight> (119)
383.194

>  <PCAT_CMPD_ID> (119)
GI-526726

>  <CNC_ID> (119)
359353840

>  <transfer_container_id> (119)
PTN000000069

>  <COMPOUND_NUMBER> (119)
GI-526726

>  <BAR_CODE_NO> (119)
3899911

>  <LOCATION_CODE> (119)
PTNCS

>  <AMOUNT_CURRENT> (119)
33.1

$$$$
WAY-114861
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.9711    2.3398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1129    1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3905    3.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2735    2.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8260    3.6680    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0757    0.1585    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5328    4.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    1.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6976    4.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380    2.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143    0.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0772    4.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1942    6.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    2.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9088    0.0000 C   0  0  0  0  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  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  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 14  1  0  0  0  0
  5  4  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C12H20N2OS

>  <MolWeight> (120)
240.365

>  <PCAT_CMPD_ID> (120)
WAY-114861

>  <CNC_ID> (120)
359353904

>  <transfer_container_id> (120)
PTN000000069

>  <COMPOUND_NUMBER> (120)
WAY-114861

>  <BAR_CODE_NO> (120)
3899505

>  <LOCATION_CODE> (120)
PTNCS

>  <AMOUNT_CURRENT> (120)
33.3

$$$$
WAY-240580
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1425    2.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4147    3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8123    3.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0117    2.3313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0144    3.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073    1.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9921    1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6261    3.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5015    4.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5267    2.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7942    4.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560    4.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9179    2.1371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9179    4.5811    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5874    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    5.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335    4.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6261    0.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5760    5.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0117    6.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5704    6.7245    0.0000 C   0  0  0  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 13  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  5  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 12  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  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  6  4  1  0  0  0  0
  8 14  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C17H20N2O3

>  <MolWeight> (121)
300.3523

>  <PCAT_CMPD_ID> (121)
WAY-240580

>  <CNC_ID> (121)
359354211

>  <transfer_container_id> (121)
PTN000000069

>  <COMPOUND_NUMBER> (121)
WAY-240580

>  <BAR_CODE_NO> (121)
3900654

>  <LOCATION_CODE> (121)
PTNCS

>  <AMOUNT_CURRENT> (121)
33.3

$$$$
WAY-218880
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.6563    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6563    3.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3053    8.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    4.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    5.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0867    7.7774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887    7.7774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    4.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3053    9.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6563    6.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0867    6.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186    3.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3053    1.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1501    3.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0867   10.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887   10.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759    4.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583   11.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887   11.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5594    3.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3053   12.6314    0.0000 C   0  0  0  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  5  1  0  0  0  0
  7 15  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  4  2  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  2  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 10  1  0  0  0  0
 20 10  2  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 20  1  0  0  0  0
 25 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
 17 12  2  0  0  0  0
 27 23  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C22H17BrN2O3

>  <MolWeight> (122)
437.28598

>  <PCAT_CMPD_ID> (122)
WAY-218880

>  <CNC_ID> (122)
359354038

>  <transfer_container_id> (122)
PTN000000069

>  <COMPOUND_NUMBER> (122)
WAY-218880

>  <BAR_CODE_NO> (122)
3899739

>  <LOCATION_CODE> (122)
PTNCS

>  <AMOUNT_CURRENT> (122)
33.3

$$$$
WAY-227978
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.4009    3.6392    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1267    2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5165    2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2141    1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    4.8561    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3894    1.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7960    1.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234    1.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3074    2.4336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8535    2.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0974    2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9251    3.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1267    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334    1.2280    0.0000 C   0  0  0  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  3  2  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  1  2  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  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 17  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C13H12N2O4

>  <MolWeight> (123)
260.24538

>  <PCAT_CMPD_ID> (123)
WAY-227978

>  <CNC_ID> (123)
359354070

>  <transfer_container_id> (123)
PTN000000069

>  <COMPOUND_NUMBER> (123)
WAY-227978

>  <BAR_CODE_NO> (123)
3900468

>  <LOCATION_CODE> (123)
PTNCS

>  <AMOUNT_CURRENT> (123)
33.3

$$$$
WAY-298113
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1241    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8414    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4621    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -0.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.5241    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
    2.0207   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7759   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
  6  8  1  0  0  0  0
  7  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  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  6  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C13H13N3O2

>  <MolWeight> (124)
243.26122

>  <PCAT_CMPD_ID> (124)
WAY-298113

>  <CNC_ID> (124)
359357107

>  <transfer_container_id> (124)
PTN000000069

>  <COMPOUND_NUMBER> (124)
WAY-298113

>  <BAR_CODE_NO> (124)
3899455

>  <LOCATION_CODE> (124)
PTNCS

>  <AMOUNT_CURRENT> (124)
33.1

$$$$
WAY-298122
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.6138   -0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069   -2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276   -2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310    0.2759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414    1.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552    0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8690    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483    2.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5862    0.2862    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  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
 11 15  1  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
 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
 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  9  1  0  0  0  0
 13 15  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C22H25N5OS

>  <MolWeight> (125)
407.5318

>  <PCAT_CMPD_ID> (125)
WAY-298122

>  <CNC_ID> (125)
359357116

>  <transfer_container_id> (125)
PTN000000069

>  <COMPOUND_NUMBER> (125)
WAY-298122

>  <BAR_CODE_NO> (125)
3899464

>  <LOCATION_CODE> (125)
PTNCS

>  <AMOUNT_CURRENT> (125)
33.2

$$$$
WAY-298208
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.1586    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    1.2621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -0.2172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8414    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -1.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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  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
 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
 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
  8  9  1  0  0  0  0
 15 17  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C19H17N5O2S

>  <MolWeight> (126)
379.43558

>  <PCAT_CMPD_ID> (126)
WAY-298208

>  <CNC_ID> (126)
359357202

>  <transfer_container_id> (126)
PTN000000069

>  <COMPOUND_NUMBER> (126)
WAY-298208

>  <BAR_CODE_NO> (126)
3899582

>  <LOCATION_CODE> (126)
PTNCS

>  <AMOUNT_CURRENT> (126)
33.5

$$$$
WAY-298251
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2034    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    0.6241    0.0000 C   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
   -0.9172   -1.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -1.8448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  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
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C16H15NO4

>  <MolWeight> (127)
285.2946

>  <PCAT_CMPD_ID> (127)
WAY-298251

>  <CNC_ID> (127)
359357245

>  <transfer_container_id> (127)
PTN000000069

>  <COMPOUND_NUMBER> (127)
WAY-298251

>  <BAR_CODE_NO> (127)
3899649

>  <LOCATION_CODE> (127)
PTNCS

>  <AMOUNT_CURRENT> (127)
33.1

$$$$
WAY-298372
csChFnd80/11182011152D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.0690   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -1.6103    0.0000 O   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
    0.5690   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -0.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -2.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -1.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7138   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3517   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310   -2.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1690    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069    2.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379    3.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8862    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9483    2.2414    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
  5  9  2  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
 11 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
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 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
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
  8 10  1  0  0  0  0
 18 21  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C26H25N3O4

>  <MolWeight> (128)
443.4944

>  <PCAT_CMPD_ID> (128)
WAY-298372

>  <CNC_ID> (128)
359357366

>  <transfer_container_id> (128)
PTN000000069

>  <COMPOUND_NUMBER> (128)
WAY-298372

>  <BAR_CODE_NO> (128)
3899818

>  <LOCATION_CODE> (128)
PTNCS

>  <AMOUNT_CURRENT> (128)
33.4

$$$$
WAY-298452
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.4966    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.1966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    1.8448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5966   -0.3448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    1.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690    0.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034   -0.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C17H10Cl2N2O3S

>  <MolWeight> (129)
393.2439

>  <PCAT_CMPD_ID> (129)
WAY-298452

>  <CNC_ID> (129)
359357446

>  <transfer_container_id> (129)
PTN000000069

>  <COMPOUND_NUMBER> (129)
WAY-298452

>  <BAR_CODE_NO> (129)
3899939

>  <LOCATION_CODE> (129)
PTNCS

>  <AMOUNT_CURRENT> (129)
33.2

$$$$
WAY-298553
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.1276   -0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.8241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4069    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034   -0.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    1.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -2.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828   -1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    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  1  0  0  0  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
 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  9  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C12H13NO4

>  <MolWeight> (130)
235.23592

>  <PCAT_CMPD_ID> (130)
WAY-298553

>  <CNC_ID> (130)
359357547

>  <transfer_container_id> (130)
PTN000000069

>  <COMPOUND_NUMBER> (130)
WAY-298553

>  <BAR_CODE_NO> (130)
3900071

>  <LOCATION_CODE> (130)
PTNCS

>  <AMOUNT_CURRENT> (130)
33.3

$$$$
WAY-299074
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.7324    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7223    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    7.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3475   11.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3679    0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3122    2.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7802    8.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0411   10.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3576   11.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9931   11.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7255    9.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840    5.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449    7.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718    4.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895    4.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    6.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7120   11.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752    4.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131   13.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    9.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4960    7.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4513    9.0474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614    8.0107    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  1  0  0  0  0
 23 25  2  0  0  0  0
 22 25  2  0  0  0  0
  7 24  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
 21  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  1  0  0  0  0
 20 16  1  0  0  0  0
 16 18  1  0  0  0  0
 19  4  1  0  0  0  0
 18 14  2  0  0  0  0
 17 13  1  0  0  0  0
 15 20  1  0  0  0  0
 10 15  1  0  0  0  0
  6 15  2  0  0  0  0
  5 10  2  0  0  0  0
  2  6  1  0  0  0  0
  1  2  2  0  0  0  0
 17 16  2  0  0  0  0
 12  9  1  0  0  0  0
  5  1  1  0  0  0  0
M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C18H19NO5S

>  <MolWeight> (131)
361.41216

>  <PCAT_CMPD_ID> (131)
WAY-299074

>  <CNC_ID> (131)
359358068

>  <transfer_container_id> (131)
PTN000000069

>  <COMPOUND_NUMBER> (131)
WAY-299074

>  <BAR_CODE_NO> (131)
3900750

>  <LOCATION_CODE> (131)
PTNCS

>  <AMOUNT_CURRENT> (131)
33

$$$$
WAY-299176
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0515    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0826    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4071    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5584    0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5998    1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036   -0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8929    0.6034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0584   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239   -0.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5343   -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  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
  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
 12 15  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C10H11N3OS

>  <MolWeight> (132)
221.27884

>  <PCAT_CMPD_ID> (132)
WAY-299176

>  <CNC_ID> (132)
359358170

>  <transfer_container_id> (132)
PTN000000069

>  <COMPOUND_NUMBER> (132)
WAY-299176

>  <BAR_CODE_NO> (132)
3900897

>  <LOCATION_CODE> (132)
PTNCS

>  <AMOUNT_CURRENT> (132)
33.1

$$$$
WAY-299186
csChFnd80/11182011152D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.3759    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379    2.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -0.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724    2.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862    1.8586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9517   -2.2517    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
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C5H8N4O2S

>  <MolWeight> (133)
188.20762

>  <PCAT_CMPD_ID> (133)
WAY-299186

>  <CNC_ID> (133)
359358180

>  <transfer_container_id> (133)
PTN000000069

>  <COMPOUND_NUMBER> (133)
WAY-299186

>  <BAR_CODE_NO> (133)
3900910

>  <LOCATION_CODE> (133)
PTNCS

>  <AMOUNT_CURRENT> (133)
33.2

$$$$
WAY-299219
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.3276    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724    1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -0.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241    1.4552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    1.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    0.4862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4345   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379   -2.3897    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  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
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 20 21  1  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 20  1  0  0  0  0
M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C16H18N4S

>  <MolWeight> (134)
298.40592

>  <PCAT_CMPD_ID> (134)
WAY-299219

>  <CNC_ID> (134)
359358213

>  <transfer_container_id> (134)
PTN000000069

>  <COMPOUND_NUMBER> (134)
WAY-299219

>  <BAR_CODE_NO> (134)
3900948

>  <LOCATION_CODE> (134)
PTNCS

>  <AMOUNT_CURRENT> (134)
33.3

$$$$
WAY-299287-A
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6655    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -0.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -1.7276    0.0000 O   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
    2.1345   -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  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  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  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C16H21NO2

>  <MolWeight> (135)
259.34344

>  <PCAT_CMPD_ID> (135)
WAY-299287-A

>  <CNC_ID> (135)
359358281

>  <transfer_container_id> (135)
PTN000000069

>  <COMPOUND_NUMBER> (135)
WAY-299287-A

>  <BAR_CODE_NO> (135)
3901038

>  <LOCATION_CODE> (135)
PTNCS

>  <AMOUNT_CURRENT> (135)
33.2

$$$$
WAY-299292
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.3483    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    1.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    1.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.8724    0.0000 N   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
   -1.6862   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -0.5103    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  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  1  0  0  0  0
 10 14  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C10H15N3O

>  <MolWeight> (136)
193.2456

>  <PCAT_CMPD_ID> (136)
WAY-299292

>  <CNC_ID> (136)
359358286

>  <transfer_container_id> (136)
PTN000000069

>  <COMPOUND_NUMBER> (136)
WAY-299292

>  <BAR_CODE_NO> (136)
3901043

>  <LOCATION_CODE> (136)
PTNCS

>  <AMOUNT_CURRENT> (136)
33.3

$$$$
WAY-299293
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.6520    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762    0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4721    1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480    2.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762    2.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762   -0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376    0.0278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2589    3.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4210    3.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382    0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7141   -0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8618   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7382   -0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1238   -1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7273    0.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2480   -2.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2411   -1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5031   -3.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5031   -2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5997   -3.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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
 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  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C19H21NO

>  <MolWeight> (137)
279.37614

>  <PCAT_CMPD_ID> (137)
WAY-299293

>  <CNC_ID> (137)
359358287

>  <transfer_container_id> (137)
PTN000000069

>  <COMPOUND_NUMBER> (137)
WAY-299293

>  <BAR_CODE_NO> (137)
3901044

>  <LOCATION_CODE> (137)
PTNCS

>  <AMOUNT_CURRENT> (137)
33.3

$$$$
WAY-299321
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0724   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069    0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069   -2.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6448    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.9241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    2.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6034   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9448   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    3.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5069    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
  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
 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> (138)
138

>  <Formula> (138)
C20H16N2O2S

>  <MolWeight> (138)
348.41824

>  <PCAT_CMPD_ID> (138)
WAY-299321

>  <CNC_ID> (138)
359358315

>  <transfer_container_id> (138)
PTN000000069

>  <COMPOUND_NUMBER> (138)
WAY-299321

>  <BAR_CODE_NO> (138)
3901080

>  <LOCATION_CODE> (138)
PTNCS

>  <AMOUNT_CURRENT> (138)
33.3

$$$$
WAY-299332
csChFnd80/11182011152D

 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> (139)
139

>  <Formula> (139)
C20H19NO4

>  <MolWeight> (139)
337.36916

>  <PCAT_CMPD_ID> (139)
WAY-299332

>  <CNC_ID> (139)
359358326

>  <transfer_container_id> (139)
PTN000000069

>  <COMPOUND_NUMBER> (139)
WAY-299332

>  <BAR_CODE_NO> (139)
3901093

>  <LOCATION_CODE> (139)
PTNCS

>  <AMOUNT_CURRENT> (139)
33.1

$$$$
WAY-299343
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.8824    0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    1.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997    1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824   -0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100    0.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    1.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031    0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100    1.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2480    1.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031   -0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031    1.0270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997   -1.0971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589    0.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031   -0.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031    0.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9342   -1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589   -0.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031   -1.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2624   -0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900   -0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -0.3730    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1658   -0.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417   -1.0178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7865   -0.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1658   -1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3865   -0.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7865   -1.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3865   -1.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
 14 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
 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
 24 27  2  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
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 22 23  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C23H20N2O6S

>  <MolWeight> (140)
452.4797

>  <PCAT_CMPD_ID> (140)
WAY-299343

>  <CNC_ID> (140)
359358337

>  <transfer_container_id> (140)
PTN000000069

>  <COMPOUND_NUMBER> (140)
WAY-299343

>  <BAR_CODE_NO> (140)
3901107

>  <LOCATION_CODE> (140)
PTNCS

>  <AMOUNT_CURRENT> (140)
33.2

$$$$
WAY-299348
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.6966    0.6897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7966    1.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -0.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    0.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966    2.4414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3069    2.6276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3517   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069    2.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    3.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138   -2.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -3.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -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  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
 10 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
 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
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C18H24N2O4

>  <MolWeight> (141)
332.39416

>  <PCAT_CMPD_ID> (141)
WAY-299348

>  <CNC_ID> (141)
359358342

>  <transfer_container_id> (141)
PTN000000069

>  <COMPOUND_NUMBER> (141)
WAY-299348

>  <BAR_CODE_NO> (141)
3901113

>  <LOCATION_CODE> (141)
PTNCS

>  <AMOUNT_CURRENT> (141)
33.1

$$$$
WAY-299361
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2446   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    0.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136   -1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140    0.5724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6136    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653   -0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    1.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8657   -0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8450    1.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6964   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1140   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1140    1.2552    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  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  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
 13 16  1  0  0  0  0
  5  6  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C9H9N3O3S

>  <MolWeight> (142)
239.25106

>  <PCAT_CMPD_ID> (142)
WAY-299361

>  <CNC_ID> (142)
359358355

>  <transfer_container_id> (142)
PTN000000069

>  <COMPOUND_NUMBER> (142)
WAY-299361

>  <BAR_CODE_NO> (142)
3901128

>  <LOCATION_CODE> (142)
PTNCS

>  <AMOUNT_CURRENT> (142)
33.4

$$$$
WAY-299383
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.6931   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -1.7586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6138   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    1.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6138   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    1.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9069    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C16H25N3O3

>  <MolWeight> (143)
307.388

>  <PCAT_CMPD_ID> (143)
WAY-299383

>  <CNC_ID> (143)
359358377

>  <transfer_container_id> (143)
PTN000000069

>  <COMPOUND_NUMBER> (143)
WAY-299383

>  <BAR_CODE_NO> (143)
3901155

>  <LOCATION_CODE> (143)
PTNCS

>  <AMOUNT_CURRENT> (143)
33.3

$$$$
WAY-299396
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.2966    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    3.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2966    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    3.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034    4.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    0.7276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.7276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    4.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    3.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828    1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069   -3.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -3.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069   -4.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -4.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -5.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -5.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5207   -4.5759    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  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
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  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
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 14 16  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C17H14N6O

>  <MolWeight> (144)
318.33266

>  <PCAT_CMPD_ID> (144)
WAY-299396

>  <CNC_ID> (144)
359358390

>  <transfer_container_id> (144)
PTN000000069

>  <COMPOUND_NUMBER> (144)
WAY-299396

>  <BAR_CODE_NO> (144)
3901175

>  <LOCATION_CODE> (144)
PTNCS

>  <AMOUNT_CURRENT> (144)
33.5

$$$$
WAY-299401
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.3278   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140   -0.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4071    0.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1416    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2657    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688   -0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6416    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2657    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170   -1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170   -0.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1688   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1688    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688    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  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
 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
 27 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
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C22H18N2O4

>  <MolWeight> (145)
374.38932

>  <PCAT_CMPD_ID> (145)
WAY-299401

>  <CNC_ID> (145)
359358395

>  <transfer_container_id> (145)
PTN000000069

>  <COMPOUND_NUMBER> (145)
WAY-299401

>  <BAR_CODE_NO> (145)
3901180

>  <LOCATION_CODE> (145)
PTNCS

>  <AMOUNT_CURRENT> (145)
33.4

$$$$
WAY-299410
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.0518   -0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0380   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3311   -0.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6001    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6691    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104    0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6484    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415   -0.8345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0035   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0275   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2585   -1.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5378    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4378    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2723    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4999    0.0483    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
  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
 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
 23 25  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> (146)
146

>  <Formula> (146)
C18H16N4O2S

>  <MolWeight> (146)
352.41024

>  <PCAT_CMPD_ID> (146)
WAY-299410

>  <CNC_ID> (146)
359358404

>  <transfer_container_id> (146)
PTN000000069

>  <COMPOUND_NUMBER> (146)
WAY-299410

>  <BAR_CODE_NO> (146)
3901196

>  <LOCATION_CODE> (146)
PTNCS

>  <AMOUNT_CURRENT> (146)
33.2

$$$$
WAY-299424
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.7828    1.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310    1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828   -0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828    2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6276   -0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6276    2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    1.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3828    1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1414    2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8931    1.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8931    3.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1414   -0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8931   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1414   -2.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -2.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069   -4.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -4.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -5.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -2.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 24 26  2  0  0  0  0
 25 27  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> (147)
147

>  <Formula> (147)
C21H25N3O3

>  <MolWeight> (147)
367.4415

>  <PCAT_CMPD_ID> (147)
WAY-299424

>  <CNC_ID> (147)
359358418

>  <transfer_container_id> (147)
PTN000000069

>  <COMPOUND_NUMBER> (147)
WAY-299424

>  <BAR_CODE_NO> (147)
3901217

>  <LOCATION_CODE> (147)
PTNCS

>  <AMOUNT_CURRENT> (147)
33.3

$$$$
WAY-299430
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6275    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275    2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413    0.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447    0.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413    2.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447    2.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070    1.2970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413   -0.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2654    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070    2.2590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413    3.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2654    2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070   -0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553   -0.6030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070   -0.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553   -1.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553   -2.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070   -2.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553   -2.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2587   -1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070   -2.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553   -3.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553   -4.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 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
 20 23  2  0  0  0  0
 23 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> (148)
148

>  <Formula> (148)
C19H19N3O2

>  <MolWeight> (148)
321.37306

>  <PCAT_CMPD_ID> (148)
WAY-299430

>  <CNC_ID> (148)
359358424

>  <transfer_container_id> (148)
PTN000000069

>  <COMPOUND_NUMBER> (148)
WAY-299430

>  <BAR_CODE_NO> (148)
3901225

>  <LOCATION_CODE> (148)
PTNCS

>  <AMOUNT_CURRENT> (148)
33.2

$$$$
WAY-299435
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.5125   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -7.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -6.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -4.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.0250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  4  1  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 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  1  0  0  0  0
 15 18  1  0  0  0  0
 16  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  2  0  0  0  0
 19 27  1  0  0  0  0
 20 29  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  6  1  0  0  0  0
 25  8  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  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
 20 28  1  0  0  0  0
  4  7  1  0  0  0  0
 19 30  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C19H22Cl2N6O3

>  <MolWeight> (149)
453.32238

>  <PCAT_CMPD_ID> (149)
WAY-299435

>  <CNC_ID> (149)
359358429

>  <transfer_container_id> (149)
PTN000000069

>  <COMPOUND_NUMBER> (149)
WAY-299435

>  <BAR_CODE_NO> (149)
3901231

>  <LOCATION_CODE> (149)
PTNCS

>  <AMOUNT_CURRENT> (149)
33.4

$$$$
WAY-299436
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.3069    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    1.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    1.6172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1276    1.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    0.3690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7414    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172   -1.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    3.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    2.5069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138    2.5103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966   -1.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793   -2.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207   -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  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
 24 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
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 23 26  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C20H21F3N6O

>  <MolWeight> (150)
418.4155496

>  <PCAT_CMPD_ID> (150)
WAY-299436

>  <CNC_ID> (150)
359358430

>  <transfer_container_id> (150)
PTN000000069

>  <COMPOUND_NUMBER> (150)
WAY-299436

>  <BAR_CODE_NO> (150)
3901232

>  <LOCATION_CODE> (150)
PTNCS

>  <AMOUNT_CURRENT> (150)
33.3

$$$$
WAY-382516
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.4208    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.9500    0.0000 C   0  0  0  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
   -0.1458    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.3167    0.0000 C   0  0  0  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
   -2.3833    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.7542    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  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  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 16  2  0  0  0  0
 14  8  1  0  0  0  0
 15 17  2  0  0  0  0
 16 14  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 15  1  0  0  0  0
 21  9  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 19  1  0  0  0  0
 26 21  2  0  0  0  0
 27 24  2  0  0  0  0
 28 23  2  0  0  0  0
 29 22  2  0  0  0  0
  9 11  2  0  0  0  0
 26 27  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C23H16N2O2S2

>  <MolWeight> (151)
416.51534

>  <PCAT_CMPD_ID> (151)
WAY-382516

>  <CNC_ID> (151)
359360680

>  <transfer_container_id> (151)
PTN000000069

>  <COMPOUND_NUMBER> (151)
WAY-382516

>  <BAR_CODE_NO> (151)
2540013

>  <LOCATION_CODE> (151)
PTNCS

>  <AMOUNT_CURRENT> (151)
32.5

$$$$
WAY-382527
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.3458    0.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7473    0.1786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4010    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078    1.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5370    1.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853   -0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527   -1.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4389    0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508    2.1131    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818    0.8993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -1.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078   -1.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975   -1.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4941    0.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232   -0.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5285   -1.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5492    0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8784    0.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -0.9317    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
  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
 10 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
 15 19  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C13H14N2O2S2

>  <MolWeight> (152)
294.39246

>  <PCAT_CMPD_ID> (152)
WAY-382527

>  <CNC_ID> (152)
359360691

>  <transfer_container_id> (152)
PTN000000069

>  <COMPOUND_NUMBER> (152)
WAY-382527

>  <BAR_CODE_NO> (152)
2540025

>  <LOCATION_CODE> (152)
PTNCS

>  <AMOUNT_CURRENT> (152)
32.5

$$$$
WAY-382533
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.1448    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    1.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    1.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138   -0.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    3.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -2.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -2.9140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -0.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862   -2.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552   -0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448   -2.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8379   -0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C14H14N2O3

>  <MolWeight> (153)
258.27256

>  <PCAT_CMPD_ID> (153)
WAY-382533

>  <CNC_ID> (153)
359360697

>  <transfer_container_id> (153)
PTN000000069

>  <COMPOUND_NUMBER> (153)
WAY-382533

>  <BAR_CODE_NO> (153)
2540030

>  <LOCATION_CODE> (153)
PTNCS

>  <AMOUNT_CURRENT> (153)
32.2

$$$$
WAY-382543
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.5889    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3264    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4722    0.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264    0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889   -0.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0903    0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4903    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4722    1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4278   -0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486    0.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736    0.4709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2903   -0.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6111   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2903    0.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264   -0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7903   -0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111    1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8486   -1.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9736    0.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5514   -1.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2722   -1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0264   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8722   -1.9833    0.0000 C   0  0  0  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 13  1  0  0  0  0
  7 12  1  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  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17  3  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  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  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
  4 11  2  0  0  0  0
  8  9  2  0  0  0  0
 26 27  2  0  0  0  0
  7 14  2  0  0  0  0
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C19H16N4O2S2

>  <MolWeight> (154)
396.48594

>  <PCAT_CMPD_ID> (154)
WAY-382543

>  <CNC_ID> (154)
359360707

>  <transfer_container_id> (154)
PTN000000069

>  <COMPOUND_NUMBER> (154)
WAY-382543

>  <BAR_CODE_NO> (154)
2540040

>  <LOCATION_CODE> (154)
PTNCS

>  <AMOUNT_CURRENT> (154)
32.4

$$$$
WAY-382584
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.4917    0.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1527   -0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323    0.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1197    0.5062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4233   -0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917   -0.9338    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767   -0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9603    0.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767   -0.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153    0.3982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9123    1.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5867    0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5867   -1.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9923    0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663   -0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177   -0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293    1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0863   -0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177   -0.7718    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  1  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  7  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
 12 16  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
  9  6  1  0  0  0  0
  5  3  2  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C15H15NOS2

>  <MolWeight> (155)
289.4157

>  <PCAT_CMPD_ID> (155)
WAY-382584

>  <CNC_ID> (155)
359360746

>  <transfer_container_id> (155)
PTN000000069

>  <COMPOUND_NUMBER> (155)
WAY-382584

>  <BAR_CODE_NO> (155)
2540085

>  <LOCATION_CODE> (155)
PTNCS

>  <AMOUNT_CURRENT> (155)
32.6

$$$$
WAY-382605-A
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.7417   -1.8042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1500   -3.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.6250    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
    2.6250   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -3.4167    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  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  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 14  1  0  0  0  0
  4  2  1  0  0  0  0
 12 16  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C15H19N2+

>  <MolWeight> (156)
227.32476

>  <PCAT_CMPD_ID> (156)
WAY-382605-A

>  <CNC_ID> (156)
359360766

>  <transfer_container_id> (156)
PTN000000069

>  <COMPOUND_NUMBER> (156)
WAY-382605-A

>  <BAR_CODE_NO> (156)
2540108

>  <LOCATION_CODE> (156)
PTNCS

>  <AMOUNT_CURRENT> (156)
32.5

$$$$
WAY-382626
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.4000   -2.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    3.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -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  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6 16  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9 25  1  0  0  0  0
 10  3  2  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 17  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  2  0  0  0  0
 20 23  2  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 13  1  0  0  0  0
 26 12  1  0  0  0  0
 27 20  1  0  0  0  0
 18 17  2  0  0  0  0
 26  9  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C19H22N2O5S

>  <MolWeight> (157)
390.45338

>  <PCAT_CMPD_ID> (157)
WAY-382626

>  <CNC_ID> (157)
359360787

>  <transfer_container_id> (157)
PTN000000069

>  <COMPOUND_NUMBER> (157)
WAY-382626

>  <BAR_CODE_NO> (157)
2540135

>  <LOCATION_CODE> (157)
PTNCS

>  <AMOUNT_CURRENT> (157)
32.3

$$$$
WAY-382629
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.4447    0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4447   -0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551    1.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378    1.2342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551    2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622   -0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378   -1.8934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551   -0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2068    1.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    2.7963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3242    1.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2725   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1654    2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    3.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1829   -0.3244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829   -0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1932   -2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0932   -1.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9932   -0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035   -2.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932   -0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139   -1.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
 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  2  0  0  0  0
 25 27  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  2  0  0  0  0
 22 23  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C22H20N2O3

>  <MolWeight> (158)
360.4058

>  <PCAT_CMPD_ID> (158)
WAY-382629

>  <CNC_ID> (158)
359360790

>  <transfer_container_id> (158)
PTN000000069

>  <COMPOUND_NUMBER> (158)
WAY-382629

>  <BAR_CODE_NO> (158)
2540138

>  <LOCATION_CODE> (158)
PTNCS

>  <AMOUNT_CURRENT> (158)
33

$$$$
WAY-382680
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.5208    0.0000 C   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
    0.7500    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.1333    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
   -3.5833    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    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  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  4  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  5  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  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  8  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 17  2  0  0  0  0
 23 18  2  0  0  0  0
  8  6  2  0  0  0  0
 23 22  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C18H16N2O2S

>  <MolWeight> (159)
324.39684

>  <PCAT_CMPD_ID> (159)
WAY-382680

>  <CNC_ID> (159)
359360839

>  <transfer_container_id> (159)
PTN000000069

>  <COMPOUND_NUMBER> (159)
WAY-382680

>  <BAR_CODE_NO> (159)
2540192

>  <LOCATION_CODE> (159)
PTNCS

>  <AMOUNT_CURRENT> (159)
32

$$$$
WAY-382712
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.1417   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -5.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -5.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -3.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -3.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -4.8125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -2.2250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -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  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  2  0  0  0  0
 10  4  1  0  0  0  0
 11 14  2  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
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
 19 10  2  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  2  0  0  0  0
  5  7  1  0  0  0  0
 18 20  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C17H13ClFN3O2

>  <MolWeight> (160)
345.7554232

>  <PCAT_CMPD_ID> (160)
WAY-382712

>  <CNC_ID> (160)
359360871

>  <transfer_container_id> (160)
PTN000000069

>  <COMPOUND_NUMBER> (160)
WAY-382712

>  <BAR_CODE_NO> (160)
2540237

>  <LOCATION_CODE> (160)
PTNCS

>  <AMOUNT_CURRENT> (160)
32.5

$$$$
WAY-382720-A
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.9542   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -3.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -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  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  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  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  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 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  2  0  0  0  0
 21  9  1  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 15  1  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 21  1  0  0  0  0
 30 25  2  0  0  0  0
 31 26  1  0  0  0  0
 32 31  2  0  0  0  0
  4  3  1  0  0  0  0
 12  8  2  0  0  0  0
 32 30  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C24H26N4O3S

>  <MolWeight> (161)
450.55324

>  <PCAT_CMPD_ID> (161)
WAY-382720-A

>  <CNC_ID> (161)
359360879

>  <transfer_container_id> (161)
PTN000000069

>  <COMPOUND_NUMBER> (161)
WAY-382720-A

>  <BAR_CODE_NO> (161)
2540247

>  <LOCATION_CODE> (161)
PTNCS

>  <AMOUNT_CURRENT> (161)
32.7

$$$$
WAY-382783
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.4667   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -2.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0792   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -3.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -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  7  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  5  2  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  5  1  0  0  0  0
 13 11  2  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 11  1  0  0  0  0
 19 23  1  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 18  2  0  0  0  0
 24 12  1  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
 27 17  2  0  0  0  0
 28 17  1  0  0  0  0
 29 24  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
 33 28  2  0  0  0  0
 34 33  1  0  0  0  0
  8 10  1  0  0  0  0
  6  3  1  0  0  0  0
 16 19  2  0  0  0  0
 34 32  2  0  0  0  0
M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C25H25N3O6

>  <MolWeight> (162)
463.4825

>  <PCAT_CMPD_ID> (162)
WAY-382783

>  <CNC_ID> (162)
359360942

>  <transfer_container_id> (162)
PTN000000069

>  <COMPOUND_NUMBER> (162)
WAY-382783

>  <BAR_CODE_NO> (162)
2540303

>  <LOCATION_CODE> (162)
PTNCS

>  <AMOUNT_CURRENT> (162)
32.7

$$$$
WAY-382812
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    4.6417   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -5.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -6.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -6.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -5.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -9.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -7.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -9.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792  -10.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -5.7167    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  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  2  0  0  0  0
  9 13  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  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 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22 11  1  0  0  0  0
 23 10  1  0  0  0  0
 24 15  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  2  0  0  0  0
 29 24  2  0  0  0  0
 30 23  2  0  0  0  0
 31 25  2  0  0  0  0
 10 14  2  0  0  0  0
 30 31  1  0  0  0  0
 11 15  2  0  0  0  0
  9 12  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C24H18N2O3S2

>  <MolWeight> (163)
446.54132

>  <PCAT_CMPD_ID> (163)
WAY-382812

>  <CNC_ID> (163)
359360956

>  <transfer_container_id> (163)
PTN000000069

>  <COMPOUND_NUMBER> (163)
WAY-382812

>  <BAR_CODE_NO> (163)
2540340

>  <LOCATION_CODE> (163)
PTNCS

>  <AMOUNT_CURRENT> (163)
32.7

$$$$
WAY-382828-A
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1500   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6542   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.8875    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  5  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  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12 14  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 12  1  0  0  0  0
 17 11  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
  7  2  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C16H26N2O2

>  <MolWeight> (164)
278.38984

>  <PCAT_CMPD_ID> (164)
WAY-382828-A

>  <CNC_ID> (164)
359360972

>  <transfer_container_id> (164)
PTN000000069

>  <COMPOUND_NUMBER> (164)
WAY-382828-A

>  <BAR_CODE_NO> (164)
2540318

>  <LOCATION_CODE> (164)
PTNCS

>  <AMOUNT_CURRENT> (164)
32.3

$$$$
WAY-382922
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.5000   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.9417    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
    3.6042   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -0.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.5875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -1.4250    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  5  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  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  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  2  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 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  6  8  1  0  0  0  0
 11  4  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C14H8Cl2N2OS2

>  <MolWeight> (165)
355.26212

>  <PCAT_CMPD_ID> (165)
WAY-382922

>  <CNC_ID> (165)
359360975

>  <transfer_container_id> (165)
PTN000000069

>  <COMPOUND_NUMBER> (165)
WAY-382922

>  <BAR_CODE_NO> (165)
2540365

>  <LOCATION_CODE> (165)
PTNCS

>  <AMOUNT_CURRENT> (165)
32.8

$$$$
WAY-383710
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5958   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.1833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.2625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.9542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    3.2083    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  6  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13  1  1  0  0  0  0
 14  1  1  0  0  0  0
 15  1  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 11  2  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 16  2  0  0  0  0
 24 20  2  0  0  0  0
 25 22  2  0  0  0  0
  4  5  1  0  0  0  0
 21 24  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C20H14F3NO

>  <MolWeight> (166)
341.3264696

>  <PCAT_CMPD_ID> (166)
WAY-383710

>  <CNC_ID> (166)
359361012

>  <transfer_container_id> (166)
PTN000000069

>  <COMPOUND_NUMBER> (166)
WAY-383710

>  <BAR_CODE_NO> (166)
2540393

>  <LOCATION_CODE> (166)
PTNCS

>  <AMOUNT_CURRENT> (166)
33

$$$$
WAY-383831
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.1000   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -1.3375    0.0000 N   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
    3.6875   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -0.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167    0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.7542    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
    1.8292   -3.5792    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  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  2  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  3  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 14  1  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  4  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C14H14N2O3S2

>  <MolWeight> (167)
322.40256

>  <PCAT_CMPD_ID> (167)
WAY-383831

>  <CNC_ID> (167)
359361016

>  <transfer_container_id> (167)
PTN000000069

>  <COMPOUND_NUMBER> (167)
WAY-383831

>  <BAR_CODE_NO> (167)
2540377

>  <LOCATION_CODE> (167)
PTNCS

>  <AMOUNT_CURRENT> (167)
32.5

$$$$
CL-392607
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9488    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660    0.7106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4729   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6488    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4488   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4488    0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0488   -1.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5660    1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0616    0.7106    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0823    0.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0616   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0616    1.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5823   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0823   -1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5823   -1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616   -2.8100    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
  5  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
 12 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
 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 12  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C16H14ClNO4S

>  <MolWeight> (168)
351.80466

>  <PCAT_CMPD_ID> (168)
CL-392607

>  <CNC_ID> (168)
359367405

>  <transfer_container_id> (168)
PTN000000070

>  <COMPOUND_NUMBER> (168)
CL-392607

>  <BAR_CODE_NO> (168)
3903507

>  <LOCATION_CODE> (168)
PTNCS

>  <AMOUNT_CURRENT> (168)
33.4

$$$$
CL-405318
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.5865    0.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942   -0.2404    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5865    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    0.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7800   -1.7711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2255    0.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942   -1.7711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    2.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3721   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5278   -2.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2255    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5567   -0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3721    2.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7034    0.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5102   -4.0876    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5567    2.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    0.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7034    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9232    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0405    2.8678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2779    2.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3893    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2896    4.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  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
 11 16  2  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
 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
 23 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C20H20N2O2S

>  <MolWeight> (169)
352.45

>  <PCAT_CMPD_ID> (169)
CL-405318

>  <CNC_ID> (169)
359367435

>  <transfer_container_id> (169)
PTN000000070

>  <COMPOUND_NUMBER> (169)
CL-405318

>  <BAR_CODE_NO> (169)
3903650

>  <LOCATION_CODE> (169)
PTNCS

>  <AMOUNT_CURRENT> (169)
33

$$$$
CL-418161
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.0276    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    0.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    1.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    0.3757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    0.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -1.6312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  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
  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
 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
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C15H19N3O

>  <MolWeight> (170)
257.33086

>  <PCAT_CMPD_ID> (170)
CL-418161

>  <CNC_ID> (170)
359367464

>  <transfer_container_id> (170)
PTN000000070

>  <COMPOUND_NUMBER> (170)
CL-418161

>  <BAR_CODE_NO> (170)
3901384

>  <LOCATION_CODE> (170)
PTNCS

>  <AMOUNT_CURRENT> (170)
33.4

$$$$
CL-425664
csChFnd80/11182011152D

 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> (171)
171

>  <Formula> (171)
C22H21NO2

>  <MolWeight> (171)
331.40764

>  <PCAT_CMPD_ID> (171)
CL-425664

>  <CNC_ID> (171)
359367492

>  <transfer_container_id> (171)
PTN000000070

>  <COMPOUND_NUMBER> (171)
CL-425664

>  <BAR_CODE_NO> (171)
3904060

>  <LOCATION_CODE> (171)
PTNCS

>  <AMOUNT_CURRENT> (171)
33.4

$$$$
CL-426691
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.2529    0.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812   -0.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5742   -0.6457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5657    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1026    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812   -2.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5742   -2.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8870    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    2.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1026    2.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529   -2.9805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154   -2.9805    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854    0.8809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9041   -2.9805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1912    0.8809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315    3.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7410   -2.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0452   -2.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3879   -2.2321    0.0000 C   0  0  0  0  0  0  0  0  0  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
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  3  0  0  0  0
  8 15  2  0  0  0  0
  9 16  3  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  8 12  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C15H17N3OS

>  <MolWeight> (172)
287.37998

>  <PCAT_CMPD_ID> (172)
CL-426691

>  <CNC_ID> (172)
359367496

>  <transfer_container_id> (172)
PTN000000070

>  <COMPOUND_NUMBER> (172)
CL-426691

>  <BAR_CODE_NO> (172)
3902689

>  <LOCATION_CODE> (172)
PTNCS

>  <AMOUNT_CURRENT> (172)
33.4

$$$$
CL-432067
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.8327    2.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181    2.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242    0.4707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9861    3.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    2.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8489    4.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5096   -0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    4.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    0.4707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1619    2.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5096   -1.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1492   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1322   -1.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214   -4.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9861   -4.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 15 16  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C12H18N2O2

>  <MolWeight> (173)
222.28352

>  <PCAT_CMPD_ID> (173)
CL-432067

>  <CNC_ID> (173)
359367500

>  <transfer_container_id> (173)
PTN000000070

>  <COMPOUND_NUMBER> (173)
CL-432067

>  <BAR_CODE_NO> (173)
2540610

>  <LOCATION_CODE> (173)
PTNCS

>  <AMOUNT_CURRENT> (173)
32.6

$$$$
CL-900704
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.0206    0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8998   -1.3206    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0403    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    0.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203   -2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402   -2.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5623    0.9803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701    2.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7486    2.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5051   -0.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080   -1.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502   -3.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309   -1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3502   -0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6205    3.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435   -2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813   -4.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8247   -2.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8677   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416    4.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8247    4.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6734   -4.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243   -2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8435   -1.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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> (174)
174

>  <Formula> (174)
C20H21N3O

>  <MolWeight> (174)
319.40024

>  <PCAT_CMPD_ID> (174)
CL-900704

>  <CNC_ID> (174)
359367512

>  <transfer_container_id> (174)
PTN000000070

>  <COMPOUND_NUMBER> (174)
CL-900704

>  <BAR_CODE_NO> (174)
3901672

>  <LOCATION_CODE> (174)
PTNCS

>  <AMOUNT_CURRENT> (174)
33.1

$$$$
GI-514009
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.9115    0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9115   -1.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5746    0.9243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2432    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5746   -2.1359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2432   -2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2638    0.1514    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.5801    0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481   -1.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5801   -1.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0731    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377   -0.0679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115   -0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    2.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115   -1.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2432    0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2432   -2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5801   -0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5801   -1.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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> (175)
175

>  <Formula> (175)
C16H15NO3

>  <MolWeight> (175)
269.2952

>  <PCAT_CMPD_ID> (175)
GI-514009

>  <CNC_ID> (175)
359367514

>  <transfer_container_id> (175)
PTN000000070

>  <COMPOUND_NUMBER> (175)
GI-514009

>  <BAR_CODE_NO> (175)
3902859

>  <LOCATION_CODE> (175)
PTNCS

>  <AMOUNT_CURRENT> (175)
33.4

$$$$
WAY-112820
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6186    1.4744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    4.2739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    3.5901    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0904    4.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    3.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    3.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5123    4.2739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7090    3.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    1.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    2.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7090    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    1.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    4.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    1.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9414    4.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9058    1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1380    3.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    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  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  9  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 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  2  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 17  1  0  0  0  0
 23 22  2  0  0  0  0
  3  4  1  0  0  0  0
 15 21  2  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C17H17N3O3

>  <MolWeight> (176)
311.33518

>  <PCAT_CMPD_ID> (176)
WAY-112820

>  <CNC_ID> (176)
359367565

>  <transfer_container_id> (176)
PTN000000070

>  <COMPOUND_NUMBER> (176)
WAY-112820

>  <BAR_CODE_NO> (176)
3903235

>  <LOCATION_CODE> (176)
PTNCS

>  <AMOUNT_CURRENT> (176)
31.9

$$$$
WAY-225293
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.7349    4.0664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7349    5.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8446    4.0664    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8446    5.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1328    3.3910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5768    1.9845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394    3.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350    5.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5768    3.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3583    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3583    4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1328    1.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092    4.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417    1.9496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092    1.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907    3.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3439    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1906    1.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3952    1.9496    0.0000 C   0  0  0  0  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  1  1  0  0  0  0
 10  2  2  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  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19  8  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 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
  5  4  1  0  0  0  0
 20 22  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C17H20FN3O4

>  <MolWeight> (177)
349.3568032

>  <PCAT_CMPD_ID> (177)
WAY-225293

>  <CNC_ID> (177)
359367739

>  <transfer_container_id> (177)
PTN000000070

>  <COMPOUND_NUMBER> (177)
WAY-225293

>  <BAR_CODE_NO> (177)
3904112

>  <LOCATION_CODE> (177)
PTNCS

>  <AMOUNT_CURRENT> (177)
33.3

$$$$
WAY-229454-A
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1138    0.5764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    1.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448    1.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759    2.2867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    2.0177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655    1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0552   -0.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172    1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -1.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    0.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655    1.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    0.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862   -2.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345   -1.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -2.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172   -3.8340    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
  9 14  2  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
 13 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
  5  7  1  0  0  0  0
 11 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C17H16ClN3O2

>  <MolWeight> (178)
329.78084

>  <PCAT_CMPD_ID> (178)
WAY-229454-A

>  <CNC_ID> (178)
359367765

>  <transfer_container_id> (178)
PTN000000070

>  <COMPOUND_NUMBER> (178)
WAY-229454-A

>  <BAR_CODE_NO> (178)
3902166

>  <LOCATION_CODE> (178)
PTNCS

>  <AMOUNT_CURRENT> (178)
33.2

$$$$
WAY-231460
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.8212    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    0.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    2.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305    0.8310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833   -0.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409   -1.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7547   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7547   -2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685   -2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -2.9069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1857   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1857   -2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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  2  0  0  0  0
  8 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C16H14ClNO4

>  <MolWeight> (179)
319.73966

>  <PCAT_CMPD_ID> (179)
WAY-231460

>  <CNC_ID> (179)
359367783

>  <transfer_container_id> (179)
PTN000000070

>  <COMPOUND_NUMBER> (179)
WAY-231460

>  <BAR_CODE_NO> (179)
3902081

>  <LOCATION_CODE> (179)
PTNCS

>  <AMOUNT_CURRENT> (179)
33.4

$$$$
WAY-232360
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.5210   -3.3685    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2025   -5.1965    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6595   -4.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5650   -6.9585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2025   -1.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6595   -6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415   -4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415   -2.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4210   -2.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9335    0.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1855   -1.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4155   -3.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7285   -6.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2435   -0.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210   -7.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2325   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980   -5.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980   -1.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2270   -3.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5815   -4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5815   -2.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -5.5290    0.0000 C   0  0  0  0  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  2  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  5  2  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  1  0  0  0  0
 14  9  2  0  0  0  0
 15  6  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 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
 23 19  1  0  0  0  0
  8  7  2  0  0  0  0
  4  6  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C17H19NO5

>  <MolWeight> (180)
317.33646

>  <PCAT_CMPD_ID> (180)
WAY-232360

>  <CNC_ID> (180)
359367796

>  <transfer_container_id> (180)
PTN000000070

>  <COMPOUND_NUMBER> (180)
WAY-232360

>  <BAR_CODE_NO> (180)
3902616

>  <LOCATION_CODE> (180)
PTNCS

>  <AMOUNT_CURRENT> (180)
33.3

$$$$
WAY-234115
csChFnd80/11182011152D

 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> (181)
181

>  <Formula> (181)
C20H18ClNO3

>  <MolWeight> (181)
355.81482

>  <PCAT_CMPD_ID> (181)
WAY-234115

>  <CNC_ID> (181)
359367825

>  <transfer_container_id> (181)
PTN000000070

>  <COMPOUND_NUMBER> (181)
WAY-234115

>  <BAR_CODE_NO> (181)
3902264

>  <LOCATION_CODE> (181)
PTNCS

>  <AMOUNT_CURRENT> (181)
33

$$$$
WAY-238352
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.8575   -9.9895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1725   -9.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5710  -11.2445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5080  -12.0150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4390  -11.2380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5730   -9.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7155   -9.9425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3080   -9.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7015   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -7.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100   -7.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4570   -9.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5595   -7.9770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -6.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5790   -9.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7215   -7.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5790   -7.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4300   -9.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320   -7.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7155  -11.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8510   -9.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8510  -11.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9870  -11.2645    0.0000 C   0  0  0  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 19  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
  3  4  1  0  0  0  0
 11 18  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C16H19N5O3S

>  <MolWeight> (182)
361.41876

>  <PCAT_CMPD_ID> (182)
WAY-238352

>  <CNC_ID> (182)
359367890

>  <transfer_container_id> (182)
PTN000000070

>  <COMPOUND_NUMBER> (182)
WAY-238352

>  <BAR_CODE_NO> (182)
3902742

>  <LOCATION_CODE> (182)
PTNCS

>  <AMOUNT_CURRENT> (182)
33.3

$$$$
WAY-238656
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.8098    0.3893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0857    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650   -0.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0857    1.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419    0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    0.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650   -0.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419    2.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8143    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2133   -0.4659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8143    1.9099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9098   -0.8901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    2.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8340   -1.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4133   -0.6590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4857   -1.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143    1.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6478   -2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133   -2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6419    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6340   -3.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133   -3.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5902    1.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6419    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8133   -3.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5902    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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
 15 19  1  0  0  0  0
 15 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
 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
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C22H29N3O2S

>  <MolWeight> (183)
399.54956

>  <PCAT_CMPD_ID> (183)
WAY-238656

>  <CNC_ID> (183)
359367899

>  <transfer_container_id> (183)
PTN000000070

>  <COMPOUND_NUMBER> (183)
WAY-238656

>  <BAR_CODE_NO> (183)
3903929

>  <LOCATION_CODE> (183)
PTNCS

>  <AMOUNT_CURRENT> (183)
33.4

$$$$
WAY-239705
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5624    1.7829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    2.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    2.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    0.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    1.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    2.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7549    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762    2.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    3.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7549    0.9829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762    2.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4756    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4756   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238   -0.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7411   -1.5447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031   -0.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7411   -2.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238   -2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0238   -2.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411   -3.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1238   -2.3654    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0238   -3.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -3.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C19H22FN3O

>  <MolWeight> (184)
327.3958832

>  <PCAT_CMPD_ID> (184)
WAY-239705

>  <CNC_ID> (184)
359367920

>  <transfer_container_id> (184)
PTN000000070

>  <COMPOUND_NUMBER> (184)
WAY-239705

>  <BAR_CODE_NO> (184)
3901648

>  <LOCATION_CODE> (184)
PTNCS

>  <AMOUNT_CURRENT> (184)
33.3

$$$$
WAY-243114
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4345   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -0.3104    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    0.0896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -1.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.9516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517    2.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 20 22  2  0  0  0  0
 21 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
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C19H24N2O3S

>  <MolWeight> (185)
360.47046

>  <PCAT_CMPD_ID> (185)
WAY-243114

>  <CNC_ID> (185)
359367944

>  <transfer_container_id> (185)
PTN000000070

>  <COMPOUND_NUMBER> (185)
WAY-243114

>  <BAR_CODE_NO> (185)
3902872

>  <LOCATION_CODE> (185)
PTNCS

>  <AMOUNT_CURRENT> (185)
33.1

$$$$
WAY-299549
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6515    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    2.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    4.9295    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2172    2.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686    4.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686    2.1451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0944    5.6127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    6.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2346    7.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0944    2.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    9.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609    8.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    8.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3115    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780   10.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3115    0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5110    2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5110    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7281    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7281    0.7004    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  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  3  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 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  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 14  1  0  0  0  0
 19 15  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
  5  3  1  0  0  0  0
 15 17  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C19H16N2O2S

>  <MolWeight> (186)
336.40754

>  <PCAT_CMPD_ID> (186)
WAY-299549

>  <CNC_ID> (186)
359370226

>  <transfer_container_id> (186)
PTN000000070

>  <COMPOUND_NUMBER> (186)
WAY-299549

>  <BAR_CODE_NO> (186)
3901371

>  <LOCATION_CODE> (186)
PTNCS

>  <AMOUNT_CURRENT> (186)
33.4

$$$$
WAY-299557
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.0826   -1.0830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170   -1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968   -2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446   -2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7412   -0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6377    1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    0.6895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4864   -1.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5412   -3.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1964   -0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1205    3.0343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209   -3.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036   -0.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6136   -2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550    4.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726    3.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0554   -2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1481   -2.6761    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929    5.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    4.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0864   -3.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140    5.9757    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  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  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
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 11 15  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C16H21BrN2O4

>  <MolWeight> (187)
385.25294

>  <PCAT_CMPD_ID> (187)
WAY-299557

>  <CNC_ID> (187)
359370234

>  <transfer_container_id> (187)
PTN000000070

>  <COMPOUND_NUMBER> (187)
WAY-299557

>  <BAR_CODE_NO> (187)
3901381

>  <LOCATION_CODE> (187)
PTNCS

>  <AMOUNT_CURRENT> (187)
33.4

$$$$
WAY-299567
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.7966   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172   -1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586   -1.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828   -1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    1.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207    0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7793   -0.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4931   -0.2655    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  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  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
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C18H19NO5

>  <MolWeight> (188)
329.34716

>  <PCAT_CMPD_ID> (188)
WAY-299567

>  <CNC_ID> (188)
359370244

>  <transfer_container_id> (188)
PTN000000070

>  <COMPOUND_NUMBER> (188)
WAY-299567

>  <BAR_CODE_NO> (188)
3901398

>  <LOCATION_CODE> (188)
PTNCS

>  <AMOUNT_CURRENT> (188)
33.4

$$$$
WAY-299570
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.1448   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241    1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552   -1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    0.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897   -0.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0034   -0.3241    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  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
 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  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C20H23NO3

>  <MolWeight> (189)
325.40152

>  <PCAT_CMPD_ID> (189)
WAY-299570

>  <CNC_ID> (189)
359370247

>  <transfer_container_id> (189)
PTN000000070

>  <COMPOUND_NUMBER> (189)
WAY-299570

>  <BAR_CODE_NO> (189)
3901401

>  <LOCATION_CODE> (189)
PTNCS

>  <AMOUNT_CURRENT> (189)
33.4

$$$$
WAY-299598
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0138   -0.0138    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
   -0.6379    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -0.6759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    1.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -1.3138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -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
  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
  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
 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
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C12H10ClNO4S

>  <MolWeight> (190)
299.7301

>  <PCAT_CMPD_ID> (190)
WAY-299598

>  <CNC_ID> (190)
359370275

>  <transfer_container_id> (190)
PTN000000070

>  <COMPOUND_NUMBER> (190)
WAY-299598

>  <BAR_CODE_NO> (190)
3901432

>  <LOCATION_CODE> (190)
PTNCS

>  <AMOUNT_CURRENT> (190)
33.3

$$$$
WAY-299600
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4486    1.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7597    2.2558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262    2.3754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5874    0.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    3.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620    1.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    4.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    1.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6400    3.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    5.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    6.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8432    4.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8432    5.9346    0.0000 C   0  0  0  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  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  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
 15 13  1  0  0  0  0
  5  7  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C10H15N3OS

>  <MolWeight> (191)
225.3106

>  <PCAT_CMPD_ID> (191)
WAY-299600

>  <CNC_ID> (191)
359370277

>  <transfer_container_id> (191)
PTN000000070

>  <COMPOUND_NUMBER> (191)
WAY-299600

>  <BAR_CODE_NO> (191)
3901434

>  <LOCATION_CODE> (191)
PTNCS

>  <AMOUNT_CURRENT> (191)
33.4

$$$$
WAY-299622
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.7862   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -0.0241    0.0000 S   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
    0.7759   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    1.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 10 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
  7  8  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C11H10N4OS

>  <MolWeight> (192)
246.2883

>  <PCAT_CMPD_ID> (192)
WAY-299622

>  <CNC_ID> (192)
359370299

>  <transfer_container_id> (192)
PTN000000070

>  <COMPOUND_NUMBER> (192)
WAY-299622

>  <BAR_CODE_NO> (192)
3901458

>  <LOCATION_CODE> (192)
PTNCS

>  <AMOUNT_CURRENT> (192)
33.1

$$$$
WAY-299632
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.0103    0.2517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4310   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    1.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -1.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -1.0690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690   -1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -0.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -1.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -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  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
 18 20  2  0  0  0  0
 19 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> (193)
193

>  <Formula> (193)
C15H16N2O4S

>  <MolWeight> (193)
320.36354

>  <PCAT_CMPD_ID> (193)
WAY-299632

>  <CNC_ID> (193)
359370309

>  <transfer_container_id> (193)
PTN000000070

>  <COMPOUND_NUMBER> (193)
WAY-299632

>  <BAR_CODE_NO> (193)
3901471

>  <LOCATION_CODE> (193)
PTNCS

>  <AMOUNT_CURRENT> (193)
33.3

$$$$
WAY-299641
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.8777    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8777   -0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777    0.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3154    1.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016   -0.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4915    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568   -0.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881    2.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3154   -1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4915   -0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3053    0.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878   -0.8504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3053   -0.9159    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3053    1.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8051   -0.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4051   -1.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6156    3.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2395   -1.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8361   -2.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7395   -2.4780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740   -3.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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
 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  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
 25 26  1  0  0  0  0
  5  7  1  0  0  0  0
  9 14  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C19H26BrN3O3

>  <MolWeight> (194)
424.33204

>  <PCAT_CMPD_ID> (194)
WAY-299641

>  <CNC_ID> (194)
359370318

>  <transfer_container_id> (194)
PTN000000070

>  <COMPOUND_NUMBER> (194)
WAY-299641

>  <BAR_CODE_NO> (194)
3901484

>  <LOCATION_CODE> (194)
PTNCS

>  <AMOUNT_CURRENT> (194)
33.2

$$$$
WAY-299651
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3345    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.5724    0.0000 C   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
    1.5034    0.1172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8862   -1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    1.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.6724    0.0000 C   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
    2.1655   -0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966    0.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034   -0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6966    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    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  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
 17 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
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C17H20N2O5

>  <MolWeight> (195)
332.3511

>  <PCAT_CMPD_ID> (195)
WAY-299651

>  <CNC_ID> (195)
359370328

>  <transfer_container_id> (195)
PTN000000070

>  <COMPOUND_NUMBER> (195)
WAY-299651

>  <BAR_CODE_NO> (195)
3901496

>  <LOCATION_CODE> (195)
PTNCS

>  <AMOUNT_CURRENT> (195)
33.2

$$$$
WAY-299663
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.2480   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -0.6552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0480   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4963    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411   -1.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8693   -0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4618    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0382   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8003    1.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0549    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8244   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244   -1.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8618    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9969   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  3  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
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
  5  6  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C15H19N3O2S

>  <MolWeight> (196)
305.39526

>  <PCAT_CMPD_ID> (196)
WAY-299663

>  <CNC_ID> (196)
359370340

>  <transfer_container_id> (196)
PTN000000070

>  <COMPOUND_NUMBER> (196)
WAY-299663

>  <BAR_CODE_NO> (196)
3901510

>  <LOCATION_CODE> (196)
PTNCS

>  <AMOUNT_CURRENT> (196)
33.1

$$$$
WAY-300198
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.7690    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276    1.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345   -0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    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  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
  9 16  1  0  0  0  0
 11 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
 20 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
  7 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C20H17N3O3

>  <MolWeight> (197)
347.36728

>  <PCAT_CMPD_ID> (197)
WAY-300198

>  <CNC_ID> (197)
359370852

>  <transfer_container_id> (197)
PTN000000070

>  <COMPOUND_NUMBER> (197)
WAY-300198

>  <BAR_CODE_NO> (197)
3902189

>  <LOCATION_CODE> (197)
PTNCS

>  <AMOUNT_CURRENT> (197)
33.5

$$$$
WAY-299713
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3489    0.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0937   -0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972    0.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8799    0.6203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972   -1.1590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -0.7970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3316   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6316    0.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1316    0.5030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799   -1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1511   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0799   -0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3592    0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178   -2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891   -0.3487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5937   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822    0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063    0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5891    0.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546   -0.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3511    0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8063    1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8028    1.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201    1.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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  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  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C19H16N4OS

>  <MolWeight> (198)
348.42154

>  <PCAT_CMPD_ID> (198)
WAY-299713

>  <CNC_ID> (198)
359370390

>  <transfer_container_id> (198)
PTN000000070

>  <COMPOUND_NUMBER> (198)
WAY-299713

>  <BAR_CODE_NO> (198)
3901569

>  <LOCATION_CODE> (198)
PTNCS

>  <AMOUNT_CURRENT> (198)
33.4

$$$$
WAY-299744-A
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2069    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    1.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -1.7552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4621    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6138    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379    1.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034    0.4448    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
 23 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> (199)
199

>  <Formula> (199)
C19H16N4O2S

>  <MolWeight> (199)
364.42094

>  <PCAT_CMPD_ID> (199)
WAY-299744-A

>  <CNC_ID> (199)
359370421

>  <transfer_container_id> (199)
PTN000000070

>  <COMPOUND_NUMBER> (199)
WAY-299744-A

>  <BAR_CODE_NO> (199)
3901610

>  <LOCATION_CODE> (199)
PTNCS

>  <AMOUNT_CURRENT> (199)
33.5

$$$$
WAY-299745
csChFnd80/11182011152D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.6345    1.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -0.2828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    2.0793    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.4448    1.4172    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.0276    2.4966    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -0.5586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -3.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 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
  6  7  1  0  0  0  0
M  ISO  1   8   2
M  ISO  1   9   2
M  ISO  1  10   2
M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C8H8D3N3S2

>  <MolWeight> (200)
216.341525334

>  <PCAT_CMPD_ID> (200)
WAY-299745

>  <CNC_ID> (200)
359370422

>  <transfer_container_id> (200)
PTN000000070

>  <COMPOUND_NUMBER> (200)
WAY-299745

>  <BAR_CODE_NO> (200)
3901611

>  <LOCATION_CODE> (200)
PTNCS

>  <AMOUNT_CURRENT> (200)
33.3

$$$$
WAY-299789
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9793   -0.7034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2759   -0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -0.7276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621   -0.7552    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    2.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483    2.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862    2.1759    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  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  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 13 20  1  0  0  0  0
 13 21  2  0  0  0  0
 14 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 12  1  0  0  0  0
 15 22  1  0  0  0  0
 17 24  2  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C23H21BrN4O2

>  <MolWeight> (201)
465.34244

>  <PCAT_CMPD_ID> (201)
WAY-299789

>  <CNC_ID> (201)
359370466

>  <transfer_container_id> (201)
PTN000000070

>  <COMPOUND_NUMBER> (201)
WAY-299789

>  <BAR_CODE_NO> (201)
3901670

>  <LOCATION_CODE> (201)
PTNCS

>  <AMOUNT_CURRENT> (201)
33.2

$$$$
WAY-299823
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1621   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -1.5414    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8759    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -1.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -1.9552    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1586    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    0.5138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    1.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -0.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    1.7448    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
  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
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  7 10  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C10H11N5O3S

>  <MolWeight> (202)
281.29104

>  <PCAT_CMPD_ID> (202)
WAY-299823

>  <CNC_ID> (202)
359370500

>  <transfer_container_id> (202)
PTN000000070

>  <COMPOUND_NUMBER> (202)
WAY-299823

>  <BAR_CODE_NO> (202)
3901714

>  <LOCATION_CODE> (202)
PTNCS

>  <AMOUNT_CURRENT> (202)
33.3

$$$$
WAY-299858
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.1151   -0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8254   -0.0848    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082   -0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082   -1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599    0.3290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2564   -0.8193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4185    0.6255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2953   -0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4151   -1.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771   -0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599    1.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0194   -0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2953   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771    0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539   -0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0194    0.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9702    1.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4815   -0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1815   -0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4884    0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8987   -0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056    1.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9056    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6056   -0.5400    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  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
  9 13  2  0  0  0  0
 15 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C18H20N2O4S

>  <MolWeight> (203)
360.4274

>  <PCAT_CMPD_ID> (203)
WAY-299858

>  <CNC_ID> (203)
359371206

>  <transfer_container_id> (203)
PTN000000070

>  <COMPOUND_NUMBER> (203)
WAY-299858

>  <BAR_CODE_NO> (203)
3901763

>  <LOCATION_CODE> (203)
PTNCS

>  <AMOUNT_CURRENT> (203)
33.1

$$$$
WAY-299906
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.0759   -0.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241    0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    1.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    1.7448    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
  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  2  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
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C16H19N3O

>  <MolWeight> (204)
269.34156

>  <PCAT_CMPD_ID> (204)
WAY-299906

>  <CNC_ID> (204)
359370584

>  <transfer_container_id> (204)
PTN000000070

>  <COMPOUND_NUMBER> (204)
WAY-299906

>  <BAR_CODE_NO> (204)
3901825

>  <LOCATION_CODE> (204)
PTNCS

>  <AMOUNT_CURRENT> (204)
33.5

$$$$
WAY-299929
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.0828    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -0.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -0.8828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414   -0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -0.0552    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
    1.4793   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -1.2828    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
    3.6828    0.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828   -1.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690   -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  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
  6 13  2  0  0  0  0
  7 14  2  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
 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
 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
  9 14  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C18H20N2O6S

>  <MolWeight> (205)
392.4262

>  <PCAT_CMPD_ID> (205)
WAY-299929

>  <CNC_ID> (205)
359370607

>  <transfer_container_id> (205)
PTN000000070

>  <COMPOUND_NUMBER> (205)
WAY-299929

>  <BAR_CODE_NO> (205)
3901854

>  <LOCATION_CODE> (205)
PTNCS

>  <AMOUNT_CURRENT> (205)
33.1

$$$$
WAY-299946
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.2684    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0442    0.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098    0.6099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0201   -0.6556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6546   -0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2201    1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0489    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098    1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029   -0.6556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4270    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4787   -0.9728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9925    1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8316    0.3789    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5994    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4385   -0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3822    1.1306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2213    0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282   -0.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902    0.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6040   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2558   -1.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2040   -0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -1.5694    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
  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
 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  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
 12 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C15H16Cl2N4O2S

>  <MolWeight> (206)
387.28414

>  <PCAT_CMPD_ID> (206)
WAY-299946

>  <CNC_ID> (206)
359370624

>  <transfer_container_id> (206)
PTN000000070

>  <COMPOUND_NUMBER> (206)
WAY-299946

>  <BAR_CODE_NO> (206)
3901874

>  <LOCATION_CODE> (206)
PTNCS

>  <AMOUNT_CURRENT> (206)
33.3

$$$$
WAY-299949
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6379   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724   -2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    1.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0759    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0897   -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  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
 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
 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 11  2  0  0  0  0
  9 10  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C19H16N2O3

>  <MolWeight> (207)
320.34194

>  <PCAT_CMPD_ID> (207)
WAY-299949

>  <CNC_ID> (207)
359370627

>  <transfer_container_id> (207)
PTN000000070

>  <COMPOUND_NUMBER> (207)
WAY-299949

>  <BAR_CODE_NO> (207)
3901877

>  <LOCATION_CODE> (207)
PTNCS

>  <AMOUNT_CURRENT> (207)
33.2

$$$$
WAY-300320
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.4897   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7621   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345   -2.2345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621   -0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7000   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0034   -2.5241    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
    1.3621   -0.8448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    1.2552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862   -0.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897    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  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
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
  7  8  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C12H11N3OS2

>  <MolWeight> (208)
277.36524

>  <PCAT_CMPD_ID> (208)
WAY-300320

>  <CNC_ID> (208)
359370971

>  <transfer_container_id> (208)
PTN000000070

>  <COMPOUND_NUMBER> (208)
WAY-300320

>  <BAR_CODE_NO> (208)
3902343

>  <LOCATION_CODE> (208)
PTNCS

>  <AMOUNT_CURRENT> (208)
33.2

$$$$
WAY-300336
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -3.7690   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3621   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1690    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3483    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9448   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9448    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103   -1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -0.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7241   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7241    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    0.9862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4966   -1.2793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1103   -0.2379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621   -0.8586    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
  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
 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
 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
 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
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C22H17ClF3N3O3

>  <MolWeight> (209)
463.8368896

>  <PCAT_CMPD_ID> (209)
WAY-300336

>  <CNC_ID> (209)
359370987

>  <transfer_container_id> (209)
PTN000000070

>  <COMPOUND_NUMBER> (209)
WAY-300336

>  <BAR_CODE_NO> (209)
3902364

>  <LOCATION_CODE> (209)
PTNCS

>  <AMOUNT_CURRENT> (209)
33.3

$$$$
WAY-300363
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4379    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    1.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -0.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -2.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -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
  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  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
 19 21  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C17H14N2O2

>  <MolWeight> (210)
278.30526

>  <PCAT_CMPD_ID> (210)
WAY-300363

>  <CNC_ID> (210)
359371006

>  <transfer_container_id> (210)
PTN000000070

>  <COMPOUND_NUMBER> (210)
WAY-300363

>  <BAR_CODE_NO> (210)
3902406

>  <LOCATION_CODE> (210)
PTNCS

>  <AMOUNT_CURRENT> (210)
33.4

$$$$
WAY-300375
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.2034    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    1.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -0.9517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828   -0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    3.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828   -1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3448   -1.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552    0.3862    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
   -3.6448   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  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
 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  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
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 21 24  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C19H22N6O2

>  <MolWeight> (211)
366.41698

>  <PCAT_CMPD_ID> (211)
WAY-300375

>  <CNC_ID> (211)
359371018

>  <transfer_container_id> (211)
PTN000000070

>  <COMPOUND_NUMBER> (211)
WAY-300375

>  <BAR_CODE_NO> (211)
3902420

>  <LOCATION_CODE> (211)
PTNCS

>  <AMOUNT_CURRENT> (211)
33.1

$$$$
WAY-300423-A
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8658    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969    1.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8658   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9451    1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2865    2.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969   -0.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9451   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0175    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    2.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969    3.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0175   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1175    1.4344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -0.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549    1.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2445   -1.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1135   -0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    1.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -2.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445   -1.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1135   -2.9553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342   -3.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 10 15  1  0  0  0  0
 11 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
  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> (212)
212

>  <Formula> (212)
C17H22N2O4

>  <MolWeight> (212)
318.36758

>  <PCAT_CMPD_ID> (212)
WAY-300423-A

>  <CNC_ID> (212)
359371066

>  <transfer_container_id> (212)
PTN000000070

>  <COMPOUND_NUMBER> (212)
WAY-300423-A

>  <BAR_CODE_NO> (212)
3902479

>  <LOCATION_CODE> (212)
PTNCS

>  <AMOUNT_CURRENT> (212)
33.3

$$$$
WAY-300430
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.7105    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5623    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416    3.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0692    2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002    1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9485    0.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519    4.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    2.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002    3.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588    4.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0105    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8929    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2554    3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8584    0.3310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5343   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3136    0.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3136   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1377   -2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5584   -2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2308   -3.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -3.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4895   -4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0515   -4.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688   -5.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1239   -4.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3998   -5.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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  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
 28 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
 18 20  1  0  0  0  0
 29 30  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C26H28N2O6

>  <MolWeight> (213)
464.51032

>  <PCAT_CMPD_ID> (213)
WAY-300430

>  <CNC_ID> (213)
359371073

>  <transfer_container_id> (213)
PTN000000070

>  <COMPOUND_NUMBER> (213)
WAY-300430

>  <BAR_CODE_NO> (213)
3902490

>  <LOCATION_CODE> (213)
PTNCS

>  <AMOUNT_CURRENT> (213)
33.3

$$$$
WAY-300454
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.4793    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -0.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9138    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -1.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -0.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    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  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
 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
  9 12  2  0  0  0  0
 11 14  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C17H20N2O3

>  <MolWeight> (214)
300.3523

>  <PCAT_CMPD_ID> (214)
WAY-300454

>  <CNC_ID> (214)
359371097

>  <transfer_container_id> (214)
PTN000000070

>  <COMPOUND_NUMBER> (214)
WAY-300454

>  <BAR_CODE_NO> (214)
3902518

>  <LOCATION_CODE> (214)
PTNCS

>  <AMOUNT_CURRENT> (214)
33.3

$$$$
WAY-300525
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5138    1.5067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    2.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    0.0619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    2.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    3.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.6588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -0.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    3.6929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2586    2.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2586    3.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345   -3.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966   -1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -3.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -4.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -5.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
  5 10  1  0  0  0  0
 12 15  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C15H14N2O2S

>  <MolWeight> (215)
286.34886

>  <PCAT_CMPD_ID> (215)
WAY-300525

>  <CNC_ID> (215)
359371168

>  <transfer_container_id> (215)
PTN000000070

>  <COMPOUND_NUMBER> (215)
WAY-300525

>  <BAR_CODE_NO> (215)
3902622

>  <LOCATION_CODE> (215)
PTNCS

>  <AMOUNT_CURRENT> (215)
33.2

$$$$
WAY-300553
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.5000    0.5690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2138    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    1.3034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    0.5759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1241    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -0.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -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
  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
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C13H17NO2S

>  <MolWeight> (216)
251.34458

>  <PCAT_CMPD_ID> (216)
WAY-300553

>  <CNC_ID> (216)
359371196

>  <transfer_container_id> (216)
PTN000000070

>  <COMPOUND_NUMBER> (216)
WAY-300553

>  <BAR_CODE_NO> (216)
3902656

>  <LOCATION_CODE> (216)
PTNCS

>  <AMOUNT_CURRENT> (216)
33.1

$$$$
WAY-300598
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.1621   -1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586   -2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621   -0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -2.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   -3.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -3.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    1.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    2.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517    3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    3.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    3.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2586    4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  9 14  2  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
 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
 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
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C23H18N2O5

>  <MolWeight> (217)
402.39942

>  <PCAT_CMPD_ID> (217)
WAY-300598

>  <CNC_ID> (217)
359371241

>  <transfer_container_id> (217)
PTN000000070

>  <COMPOUND_NUMBER> (217)
WAY-300598

>  <BAR_CODE_NO> (217)
3902717

>  <LOCATION_CODE> (217)
PTNCS

>  <AMOUNT_CURRENT> (217)
33.2

$$$$
WAY-300698
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.3241    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241   -0.6379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0379    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -1.0586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0414   -1.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    1.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    0.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759   -1.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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> (218)
218

>  <Formula> (218)
C15H22N2O3

>  <MolWeight> (218)
278.34678

>  <PCAT_CMPD_ID> (218)
WAY-300698

>  <CNC_ID> (218)
359371341

>  <transfer_container_id> (218)
PTN000000070

>  <COMPOUND_NUMBER> (218)
WAY-300698

>  <BAR_CODE_NO> (218)
3902849

>  <LOCATION_CODE> (218)
PTNCS

>  <AMOUNT_CURRENT> (218)
33.4

$$$$
WAY-300699
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.0759   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379    0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    2.3517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.2897    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
  6 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
  9 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
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C19H24N2OS

>  <MolWeight> (219)
328.47166

>  <PCAT_CMPD_ID> (219)
WAY-300699

>  <CNC_ID> (219)
359371342

>  <transfer_container_id> (219)
PTN000000070

>  <COMPOUND_NUMBER> (219)
WAY-300699

>  <BAR_CODE_NO> (219)
3902851

>  <LOCATION_CODE> (219)
PTNCS

>  <AMOUNT_CURRENT> (219)
33.1

$$$$
WAY-301153
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.4517   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.3069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4448   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -1.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -1.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    0.9103    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
   -0.4793    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724    1.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -1.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    2.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655   -3.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -2.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483    3.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -3.5552    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  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  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
 21 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
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
 18 23  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C22H20N4O3

>  <MolWeight> (220)
388.4192

>  <PCAT_CMPD_ID> (220)
WAY-301153

>  <CNC_ID> (220)
359371492

>  <transfer_container_id> (220)
PTN000000070

>  <COMPOUND_NUMBER> (220)
WAY-301153

>  <BAR_CODE_NO> (220)
3903497

>  <LOCATION_CODE> (220)
PTNCS

>  <AMOUNT_CURRENT> (220)
33.3

$$$$
WAY-301157
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8828    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345   -0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3448    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    1.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -0.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C15H14N4O2

>  <MolWeight> (221)
282.29726

>  <PCAT_CMPD_ID> (221)
WAY-301157

>  <CNC_ID> (221)
359371496

>  <transfer_container_id> (221)
PTN000000070

>  <COMPOUND_NUMBER> (221)
WAY-301157

>  <BAR_CODE_NO> (221)
3903502

>  <LOCATION_CODE> (221)
PTNCS

>  <AMOUNT_CURRENT> (221)
33.2

$$$$
WAY-301323
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.3517    0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -0.3103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7828   -1.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    1.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069    0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0207   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4621    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8276    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8276   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1931    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3069    0.1310    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
 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
 16 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  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C20H21N3O3

>  <MolWeight> (222)
351.39904

>  <PCAT_CMPD_ID> (222)
WAY-301323

>  <CNC_ID> (222)
359371662

>  <transfer_container_id> (222)
PTN000000070

>  <COMPOUND_NUMBER> (222)
WAY-301323

>  <BAR_CODE_NO> (222)
3903724

>  <LOCATION_CODE> (222)
PTNCS

>  <AMOUNT_CURRENT> (222)
33.1

$$$$
WAY-301343
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.0031    0.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238    0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031   -0.7137    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7072    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238    1.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204   -1.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -0.9275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    1.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514    0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135   -1.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1382    0.5277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244   -0.7102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514    1.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    2.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238   -2.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411   -1.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8451    0.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175    1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411   -1.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693    0.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 15 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
 12 17  2  0  0  0  0
 20 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C19H22N2O3S

>  <MolWeight> (223)
358.45458

>  <PCAT_CMPD_ID> (223)
WAY-301343

>  <CNC_ID> (223)
359371681

>  <transfer_container_id> (223)
PTN000000070

>  <COMPOUND_NUMBER> (223)
WAY-301343

>  <BAR_CODE_NO> (223)
3903751

>  <LOCATION_CODE> (223)
PTNCS

>  <AMOUNT_CURRENT> (223)
32.2

$$$$
WAY-301403
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.9379   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -0.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5103   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483    0.7655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5103   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483   -3.2069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -1.7069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414    0.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    2.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    2.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8351    3.3095    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
  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  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  3  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> (224)
224

>  <Formula> (224)
C18H17Cl2N3OS

>  <MolWeight> (224)
394.31808

>  <PCAT_CMPD_ID> (224)
WAY-301403

>  <CNC_ID> (224)
359371741

>  <transfer_container_id> (224)
PTN000000070

>  <COMPOUND_NUMBER> (224)
WAY-301403

>  <BAR_CODE_NO> (224)
3903830

>  <LOCATION_CODE> (224)
PTNCS

>  <AMOUNT_CURRENT> (224)
33.4

$$$$
WAY-301437-A
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.6097    0.8382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6235   -0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5373    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    0.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    2.9969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5373   -1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477   -0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7063    1.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385   -0.4169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7063   -0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7546    0.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6282   -1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7546   -0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6960   -2.0963    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730   -0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6282   -2.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3627   -1.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730   -0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4316   -1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5213   -0.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4316    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5213    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 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
 13 15  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C19H19FN2O3

>  <MolWeight> (225)
342.3641632

>  <PCAT_CMPD_ID> (225)
WAY-301437-A

>  <CNC_ID> (225)
359371775

>  <transfer_container_id> (225)
PTN000000070

>  <COMPOUND_NUMBER> (225)
WAY-301437-A

>  <BAR_CODE_NO> (225)
3903865

>  <LOCATION_CODE> (225)
PTNCS

>  <AMOUNT_CURRENT> (225)
33.3

$$$$
WAY-301456
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1241   -0.2759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4172   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.2759    0.0000 C   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
   -1.0172   -1.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -1.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    1.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    1.3138    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  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
 19 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
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C17H18N4O2

>  <MolWeight> (226)
310.35042

>  <PCAT_CMPD_ID> (226)
WAY-301456

>  <CNC_ID> (226)
359371794

>  <transfer_container_id> (226)
PTN000000070

>  <COMPOUND_NUMBER> (226)
WAY-301456

>  <BAR_CODE_NO> (226)
3903889

>  <LOCATION_CODE> (226)
PTNCS

>  <AMOUNT_CURRENT> (226)
33

$$$$
WAY-301515
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.9793    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    1.9724    0.0000 S   0  0  0  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
   -3.3034   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    1.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    1.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    3.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5966   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310   -2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -2.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5966   -1.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069   -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  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
  7 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
 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
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
 17 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C18H15N3O2S2

>  <MolWeight> (227)
369.4606

>  <PCAT_CMPD_ID> (227)
WAY-301515

>  <CNC_ID> (227)
359371853

>  <transfer_container_id> (227)
PTN000000070

>  <COMPOUND_NUMBER> (227)
WAY-301515

>  <BAR_CODE_NO> (227)
3903961

>  <LOCATION_CODE> (227)
PTNCS

>  <AMOUNT_CURRENT> (227)
33

$$$$
WAY-301566
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.8994   -0.0856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006    0.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0506    1.0394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631    0.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8214    1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964   -0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8631   -0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631   -0.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2494   -0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994    0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2494    1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006   -0.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1994   -0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1911    0.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8631   -0.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8411   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8411    1.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1994   -1.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8494   -1.2023    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  5  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  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  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  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17  6  2  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 17  1  0  0  0  0
 22 21  2  0  0  0  0
  2 14  1  0  0  0  0
 22 19  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C17H21N3O2

>  <MolWeight> (228)
299.36754

>  <PCAT_CMPD_ID> (228)
WAY-301566

>  <CNC_ID> (228)
359371904

>  <transfer_container_id> (228)
PTN000000070

>  <COMPOUND_NUMBER> (228)
WAY-301566

>  <BAR_CODE_NO> (228)
3904022

>  <LOCATION_CODE> (228)
PTNCS

>  <AMOUNT_CURRENT> (228)
33.4

$$$$
WAY-384928
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.2292   -9.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -9.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -7.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -9.1875    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
    7.2542  -10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -5.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -8.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -7.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750  -11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750  -11.4500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875  -11.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917  -11.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -8.3542    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  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  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13 22  1  0  0  0  0
 14  2  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 29  1  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  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
 23 13  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  2  0  0  0  0
 26 11  2  0  0  0  0
 27 10  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 27  1  0  0  0  0
 32 31  2  0  0  0  0
  3  5  1  0  0  0  0
 30 18  2  0  0  0  0
  7 11  1  0  0  0  0
 32 26  1  0  0  0  0
 28 17  1  0  0  0  0
M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
C23H23FN6O2

>  <MolWeight> (229)
434.4661232

>  <PCAT_CMPD_ID> (229)
WAY-384928

>  <CNC_ID> (229)
359372109

>  <transfer_container_id> (229)
PTN000000070

>  <COMPOUND_NUMBER> (229)
WAY-384928

>  <BAR_CODE_NO> (229)
2540467

>  <LOCATION_CODE> (229)
PTNCS

>  <AMOUNT_CURRENT> (229)
32.8

$$$$
WAY-385130
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.5001    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4760    1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622    1.2550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4760   -0.7312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622   -0.9347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723    0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139    2.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139   -1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2723    0.1688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9723    2.2895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8242    2.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3622    1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9723   -1.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3622   -0.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3240    3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3242    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3240   -2.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6861   -1.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3242   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    3.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861   -3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723   -1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240   -2.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9516   -4.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8516    4.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240   -2.8312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0240   -3.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 11 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
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 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  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  1  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
 25 27  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C23H23N5O3

>  <MolWeight> (230)
417.46042

>  <PCAT_CMPD_ID> (230)
WAY-385130

>  <CNC_ID> (230)
359372127

>  <transfer_container_id> (230)
PTN000000070

>  <COMPOUND_NUMBER> (230)
WAY-385130

>  <BAR_CODE_NO> (230)
2540490

>  <LOCATION_CODE> (230)
PTNCS

>  <AMOUNT_CURRENT> (230)
32.6

$$$$
WAY-385273
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.5125   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4333   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -1.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.0750    0.0000 C   0  0  0  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  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  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  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
  5  3  1  0  0  0  0
 19 17  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (231)
231

>  <Formula> (231)
C13H14ClN3OS

>  <MolWeight> (231)
295.78776

>  <PCAT_CMPD_ID> (231)
WAY-385273

>  <CNC_ID> (231)
359372133

>  <transfer_container_id> (231)
PTN000000070

>  <COMPOUND_NUMBER> (231)
WAY-385273

>  <BAR_CODE_NO> (231)
2540498

>  <LOCATION_CODE> (231)
PTNCS

>  <AMOUNT_CURRENT> (231)
32.9

$$$$
WAY-386484
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5549    2.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031    1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    2.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5031    3.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8928    0.8174    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342    1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0549    1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3796    3.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4307    2.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348    4.6002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589   -0.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4831   -0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831   -0.4688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7072   -2.0205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -2.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8279   -2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589   -3.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0451   -3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -4.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451   -5.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  7 10  1  0  0  0  0
  8 11  3  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  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
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C16H21N3OS

>  <MolWeight> (232)
303.42244

>  <PCAT_CMPD_ID> (232)
WAY-386484

>  <CNC_ID> (232)
359372285

>  <transfer_container_id> (232)
PTN000000070

>  <COMPOUND_NUMBER> (232)
WAY-386484

>  <BAR_CODE_NO> (232)
2540738

>  <LOCATION_CODE> (232)
PTNCS

>  <AMOUNT_CURRENT> (232)
32.3

$$$$
WAY-388289
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.5250   -7.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -8.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917  -11.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6875   -9.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917  -11.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667  -10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167  -10.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417  -11.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3167    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  2  0  0  0  0
  6  3  2  0  0  0  0
  7 19  1  0  0  0  0
  8  4  2  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  8  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  1  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 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 15 18  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C16H22N2O3

>  <MolWeight> (233)
290.35748

>  <PCAT_CMPD_ID> (233)
WAY-388289

>  <CNC_ID> (233)
359372432

>  <transfer_container_id> (233)
PTN000000070

>  <COMPOUND_NUMBER> (233)
WAY-388289

>  <BAR_CODE_NO> (233)
2540850

>  <LOCATION_CODE> (233)
PTNCS

>  <AMOUNT_CURRENT> (233)
32.3

$$$$
WAY-388369
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.3458    0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9000    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.0458    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
    0.4000    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  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  9  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  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13  1  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  4  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  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
 15 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C16H15NO4

>  <MolWeight> (234)
285.2946

>  <PCAT_CMPD_ID> (234)
WAY-388369

>  <CNC_ID> (234)
359372509

>  <transfer_container_id> (234)
PTN000000070

>  <COMPOUND_NUMBER> (234)
WAY-388369

>  <BAR_CODE_NO> (234)
2540925

>  <LOCATION_CODE> (234)
PTNCS

>  <AMOUNT_CURRENT> (234)
32.3

$$$$
WAY-388436
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.2292   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -7.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -8.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167  -10.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500  -10.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -9.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917  -12.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -9.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5292   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875  -13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417  -11.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417  -12.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -13.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167  -14.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250  -14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542  -15.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667  -14.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -5.8750    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  1  2  0  0  0  0
  6  9  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  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15  9  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 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 16  1  0  0  0  0
 24 17  1  0  0  0  0
  7 10  2  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C17H22N4O2S

>  <MolWeight> (235)
346.44718

>  <PCAT_CMPD_ID> (235)
WAY-388436

>  <CNC_ID> (235)
359372576

>  <transfer_container_id> (235)
PTN000000070

>  <COMPOUND_NUMBER> (235)
WAY-388436

>  <BAR_CODE_NO> (235)
2540988

>  <LOCATION_CODE> (235)
PTNCS

>  <AMOUNT_CURRENT> (235)
24.7

$$$$
WAY-388477
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.3308    0.4548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    0.4548    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   -0.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067    1.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7554    0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    1.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036   -1.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412   -0.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6446    1.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6692    1.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6933   -0.8073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4205    0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964   -2.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1416    1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1416   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412    0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412   -2.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2243   -1.3970    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7067   -0.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
  9 12  1  0  0  0  0
 14 15  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C13H12ClNO2S2

>  <MolWeight> (236)
313.82288

>  <PCAT_CMPD_ID> (236)
WAY-388477

>  <CNC_ID> (236)
359372615

>  <transfer_container_id> (236)
PTN000000070

>  <COMPOUND_NUMBER> (236)
WAY-388477

>  <BAR_CODE_NO> (236)
2541061

>  <LOCATION_CODE> (236)
PTNCS

>  <AMOUNT_CURRENT> (236)
32.4

$$$$
WAY-388736
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.7917   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -8.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -5.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -8.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -4.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7125  -10.0375    0.0000 C   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
   11.7542   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -4.2042    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  1  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  7  2  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 13  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  3  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 10  9  1  0  0  0  0
 22 21  2  0  0  0  0
  8  5  1  0  0  0  0
M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C17H19N3OS

>  <MolWeight> (237)
313.41726

>  <PCAT_CMPD_ID> (237)
WAY-388736

>  <CNC_ID> (237)
359372874

>  <transfer_container_id> (237)
PTN000000070

>  <COMPOUND_NUMBER> (237)
WAY-388736

>  <BAR_CODE_NO> (237)
2541290

>  <LOCATION_CODE> (237)
PTNCS

>  <AMOUNT_CURRENT> (237)
32.3

$$$$
WAY-388832
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.5750  -10.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250  -13.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375  -10.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -8.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -8.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667  -14.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -5.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542  -13.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750  -13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500  -14.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917  -14.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  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  2  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  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 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 16  9  1  0  0  0  0
 21 17  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C18H17FN2O2

>  <MolWeight> (238)
312.3381832

>  <PCAT_CMPD_ID> (238)
WAY-388832

>  <CNC_ID> (238)
359372969

>  <transfer_container_id> (238)
PTN000000070

>  <COMPOUND_NUMBER> (238)
WAY-388832

>  <BAR_CODE_NO> (238)
2541393

>  <LOCATION_CODE> (238)
PTNCS

>  <AMOUNT_CURRENT> (238)
32.1

$$$$
WAY-388896
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.5042   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -5.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -6.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -7.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -3.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -8.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -3.0542    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  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 15  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  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  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  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 13  1  0  0  0  0
 21 12  2  0  0  0  0
 22 13  1  0  0  0  0
 23 12  1  0  0  0  0
 24 25  1  0  0  0  0
 25 17  2  0  0  0  0
  3  4  1  0  0  0  0
 18 24  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C19H18N2O4

>  <MolWeight> (239)
338.35722

>  <PCAT_CMPD_ID> (239)
WAY-388896

>  <CNC_ID> (239)
359373033

>  <transfer_container_id> (239)
PTN000000070

>  <COMPOUND_NUMBER> (239)
WAY-388896

>  <BAR_CODE_NO> (239)
2541457

>  <LOCATION_CODE> (239)
PTNCS

>  <AMOUNT_CURRENT> (239)
32.1

$$$$
WAY-388983
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.7042   -4.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -7.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -3.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -5.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -8.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.8792    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
   13.5125   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -6.3250    0.0000 C   0  0  0  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  8  2  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  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  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  6  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 15  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 17  1  0  0  0  0
 26 23  2  0  0  0  0
 27 22  1  0  0  0  0
  5  4  1  0  0  0  0
 27 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C22H20ClNO3

>  <MolWeight> (240)
381.8521

>  <PCAT_CMPD_ID> (240)
WAY-388983

>  <CNC_ID> (240)
359373120

>  <transfer_container_id> (240)
PTN000000070

>  <COMPOUND_NUMBER> (240)
WAY-388983

>  <BAR_CODE_NO> (240)
2541535

>  <LOCATION_CODE> (240)
PTNCS

>  <AMOUNT_CURRENT> (240)
32.7

$$$$
WAY-389106-A
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.3125   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   -8.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -5.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -6.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -6.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -5.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000  -10.6042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -2.1792    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  4  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  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  1  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  6  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 16  2  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C18H20FN3O2S

>  <MolWeight> (241)
361.4337032

>  <PCAT_CMPD_ID> (241)
WAY-389106-A

>  <CNC_ID> (241)
359373239

>  <transfer_container_id> (241)
PTN000000070

>  <COMPOUND_NUMBER> (241)
WAY-389106-A

>  <BAR_CODE_NO> (241)
2541673

>  <LOCATION_CODE> (241)
PTNCS

>  <AMOUNT_CURRENT> (241)
32.9

$$$$
WAY-389133
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.0417   -0.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500  -12.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -8.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500  -10.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -8.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167  -10.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292  -10.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292  -12.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542  -13.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6292  -13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500  -15.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417  -14.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792  -16.0000    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 10  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  7  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  2  2  0  0  0  0
 15  5  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21  6  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  1  0  0  0  0
 29 25  2  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
 10 22  2  0  0  0  0
 27 31  1  0  0  0  0
 32 30  2  0  0  0  0
M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C22H25N3O6S

>  <MolWeight> (242)
459.5154

>  <PCAT_CMPD_ID> (242)
WAY-389133

>  <CNC_ID> (242)
359373263

>  <transfer_container_id> (242)
PTN000000070

>  <COMPOUND_NUMBER> (242)
WAY-389133

>  <BAR_CODE_NO> (242)
2541710

>  <LOCATION_CODE> (242)
PTNCS

>  <AMOUNT_CURRENT> (242)
32.8

$$$$
WAY-389213
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.3417   -7.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167  -10.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -9.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -8.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -9.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917  -11.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125  -11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -9.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -11.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -2.7042    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  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  2  0  0  0  0
  9 15  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12  1  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 13  2  0  0  0  0
 17 14  2  0  0  0  0
 18 12  1  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 18  2  0  0  0  0
 23 20  1  0  0  0  0
  4  3  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C15H11ClN6S

>  <MolWeight> (243)
342.80604

>  <PCAT_CMPD_ID> (243)
WAY-389213

>  <CNC_ID> (243)
359373338

>  <transfer_container_id> (243)
PTN000000070

>  <COMPOUND_NUMBER> (243)
WAY-389213

>  <BAR_CODE_NO> (243)
2541780

>  <LOCATION_CODE> (243)
PTNCS

>  <AMOUNT_CURRENT> (243)
32.6

$$$$
WAY-389279
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.1375   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -3.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -6.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    7.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.6625   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    5.5042    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  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 15  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 17 16  1  0  0  0  0
 18  3  1  0  0  0  0
 19  9  2  0  0  0  0
 20  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
  6  8  1  0  0  0  0
 14  7  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C17H19ClN2O2

>  <MolWeight> (244)
318.79796

>  <PCAT_CMPD_ID> (244)
WAY-389279

>  <CNC_ID> (244)
359373404

>  <transfer_container_id> (244)
PTN000000070

>  <COMPOUND_NUMBER> (244)
WAY-389279

>  <BAR_CODE_NO> (244)
2541847

>  <LOCATION_CODE> (244)
PTNCS

>  <AMOUNT_CURRENT> (244)
32.5

$$$$
WAY-389361
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1106   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106    0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6356   -0.4404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606    0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3994   -0.4404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534    0.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9304   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3994   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534    1.4406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434   -0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    0.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796    0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796   -0.4404    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  2  1  0  0  0  0
  8  6  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
  9 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
  4  5  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C11H11NO2S

>  <MolWeight> (245)
221.27554

>  <PCAT_CMPD_ID> (245)
WAY-389361

>  <CNC_ID> (245)
359373485

>  <transfer_container_id> (245)
PTN000000070

>  <COMPOUND_NUMBER> (245)
WAY-389361

>  <BAR_CODE_NO> (245)
2541997

>  <LOCATION_CODE> (245)
PTNCS

>  <AMOUNT_CURRENT> (245)
32.1

$$$$
WAY-389393
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.5042   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -4.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -6.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -7.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -4.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8542   -8.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8625   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -1.4042    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 11  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  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  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  6  2  0  0  0  0
 20  9  2  0  0  0  0
 21 13  1  0  0  0  0
 22 18  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
 16 13  1  0  0  0  0
  6  9  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (246)
246

>  <Formula> (246)
C20H24N2O2S

>  <MolWeight> (246)
356.48176

>  <PCAT_CMPD_ID> (246)
WAY-389393

>  <CNC_ID> (246)
359373517

>  <transfer_container_id> (246)
PTN000000070

>  <COMPOUND_NUMBER> (246)
WAY-389393

>  <BAR_CODE_NO> (246)
2541975

>  <LOCATION_CODE> (246)
PTNCS

>  <AMOUNT_CURRENT> (246)
32.2

$$$$
WAY-389405
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.0042   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -9.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000   -7.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625  -10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000  -10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -6.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -2.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125  -11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667  -13.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500  -13.0500    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  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  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 17  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 11  1  0  0  0  0
 17 16  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  6  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
  6  3  1  0  0  0  0
 24 21  2  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C19H18N2O2S

>  <MolWeight> (247)
338.42342

>  <PCAT_CMPD_ID> (247)
WAY-389405

>  <CNC_ID> (247)
359373529

>  <transfer_container_id> (247)
PTN000000070

>  <COMPOUND_NUMBER> (247)
WAY-389405

>  <BAR_CODE_NO> (247)
2542010

>  <LOCATION_CODE> (247)
PTNCS

>  <AMOUNT_CURRENT> (247)
32.7

$$$$
WAY-389504
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.7792   -6.0250    0.0000 N   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
   11.5167   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -7.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -9.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -3.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2375   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917  -11.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000  -11.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  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  6  2  0  0  0  0
 15 18  2  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 11  1  0  0  0  0
 20 19  2  0  0  0  0
  4  6  1  0  0  0  0
 14 20  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C15H13N3OS

>  <MolWeight> (248)
283.34822

>  <PCAT_CMPD_ID> (248)
WAY-389504

>  <CNC_ID> (248)
359373629

>  <transfer_container_id> (248)
PTN000000070

>  <COMPOUND_NUMBER> (248)
WAY-389504

>  <BAR_CODE_NO> (248)
2542092

>  <LOCATION_CODE> (248)
PTNCS

>  <AMOUNT_CURRENT> (248)
32.4

$$$$
WAY-389511
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.6917   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -2.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -3.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -4.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.7083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -2.0292    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  2  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  2  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  4  1  0  0  0  0
 14  6  2  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  1  0  0  0  0
 20  5  2  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 11  7  2  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C14H9Cl3N2O3

>  <MolWeight> (249)
359.59186

>  <PCAT_CMPD_ID> (249)
WAY-389511

>  <CNC_ID> (249)
359373636

>  <transfer_container_id> (249)
PTN000000070

>  <COMPOUND_NUMBER> (249)
WAY-389511

>  <BAR_CODE_NO> (249)
2542099

>  <LOCATION_CODE> (249)
PTNCS

>  <AMOUNT_CURRENT> (249)
32.9

$$$$
WAY-389526
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.2167   -6.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -5.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -9.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -3.4792    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
   12.5000   -6.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -9.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6667   -7.6667    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
   15.5250  -10.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292  -11.5000    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 10  1  0  0  0  0
  6  1  1  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 12  1  0  0  0  0
 11  9  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 14  2  0  0  0  0
 16 20  2  0  0  0  0
 17 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22  9  1  0  0  0  0
 23 16  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 26 18  1  0  0  0  0
 27 21  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
  4  3  1  0  0  0  0
 11  7  1  0  0  0  0
 15 16  1  0  0  0  0
 25 18  2  0  0  0  0
M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C21H21N5O3

>  <MolWeight> (250)
391.42314

>  <PCAT_CMPD_ID> (250)
WAY-389526

>  <CNC_ID> (250)
359373650

>  <transfer_container_id> (250)
PTN000000070

>  <COMPOUND_NUMBER> (250)
WAY-389526

>  <BAR_CODE_NO> (250)
2542087

>  <LOCATION_CODE> (250)
PTNCS

>  <AMOUNT_CURRENT> (250)
32.9

$$$$
WAY-389546
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.9000    0.0000    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
    1.5500    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    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  1  1  0  0  0  0
  4  6  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  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  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  2  0  0  0  0
 13  2  2  0  0  0  0
 14  1  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18  3  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  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
 12 20  1  0  0  0  0
 26 21  2  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C21H23NO4

>  <MolWeight> (251)
353.41162

>  <PCAT_CMPD_ID> (251)
WAY-389546

>  <CNC_ID> (251)
359373669

>  <transfer_container_id> (251)
PTN000000070

>  <COMPOUND_NUMBER> (251)
WAY-389546

>  <BAR_CODE_NO> (251)
2542114

>  <LOCATION_CODE> (251)
PTNCS

>  <AMOUNT_CURRENT> (251)
32.3

$$$$
WAY-389559
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.3250   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292    0.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    2.7708    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  2  2  0  0  0  0
  7  6  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  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  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
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  8 11  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C18H21N3S

>  <MolWeight> (252)
311.44444

>  <PCAT_CMPD_ID> (252)
WAY-389559

>  <CNC_ID> (252)
359373681

>  <transfer_container_id> (252)
PTN000000070

>  <COMPOUND_NUMBER> (252)
WAY-389559

>  <BAR_CODE_NO> (252)
2542139

>  <LOCATION_CODE> (252)
PTNCS

>  <AMOUNT_CURRENT> (252)
32.4

$$$$
WAY-389574
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.5042   -2.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -3.8000    0.0000 C   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
    3.9042   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -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  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  8  2  0  0  0  0
 12  8  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
  5  4  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C10H14N2O4

>  <MolWeight> (253)
226.22916

>  <PCAT_CMPD_ID> (253)
WAY-389574

>  <CNC_ID> (253)
359373696

>  <transfer_container_id> (253)
PTN000000070

>  <COMPOUND_NUMBER> (253)
WAY-389574

>  <BAR_CODE_NO> (253)
2542175

>  <LOCATION_CODE> (253)
PTNCS

>  <AMOUNT_CURRENT> (253)
31.5

$$$$
WAY-389608
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.0042   -4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -5.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625   -4.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.9375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -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  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 15  1  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 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 17 20  2  0  0  0  0
 18 16  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
  5  3  1  0  0  0  0
  9  7  2  0  0  0  0
 21 17  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C16H11ClN2O3S

>  <MolWeight> (254)
346.78814

>  <PCAT_CMPD_ID> (254)
WAY-389608

>  <CNC_ID> (254)
359373730

>  <transfer_container_id> (254)
PTN000000070

>  <COMPOUND_NUMBER> (254)
WAY-389608

>  <BAR_CODE_NO> (254)
2542204

>  <LOCATION_CODE> (254)
PTNCS

>  <AMOUNT_CURRENT> (254)
32.3

$$$$
WAY-389620
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2184   -0.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6598   -1.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4736   -0.6598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3598   -1.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046   -1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391    0.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8426    0.4850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8046   -2.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4643    0.2712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5460   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954    1.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8850    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    2.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    0.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574    1.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4712    1.9161    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  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  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 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C16H13FN2S

>  <MolWeight> (255)
284.3512232

>  <PCAT_CMPD_ID> (255)
WAY-389620

>  <CNC_ID> (255)
359373742

>  <transfer_container_id> (255)
PTN000000070

>  <COMPOUND_NUMBER> (255)
WAY-389620

>  <BAR_CODE_NO> (255)
2542257

>  <LOCATION_CODE> (255)
PTNCS

>  <AMOUNT_CURRENT> (255)
29.8

$$$$
WAY-389647
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.8542   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -3.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -5.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -4.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -3.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -2.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -6.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125   -4.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -7.7625    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  5  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  3  0  0  0  0
 11  3  1  0  0  0  0
 12 19  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  2  0  0  0  0
 15  2  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
  4  6  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C13H16N6O2S

>  <MolWeight> (256)
320.37014

>  <PCAT_CMPD_ID> (256)
WAY-389647

>  <CNC_ID> (256)
359373765

>  <transfer_container_id> (256)
PTN000000070

>  <COMPOUND_NUMBER> (256)
WAY-389647

>  <BAR_CODE_NO> (256)
2542255

>  <LOCATION_CODE> (256)
PTNCS

>  <AMOUNT_CURRENT> (256)
32.4

$$$$
WAY-389904
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5167   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -4.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -5.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -2.8000    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  1  2  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  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 18  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  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19 14  2  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 20  2  0  0  0  0
 16 13  2  0  0  0  0
 15 22  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C18H16N2O2

>  <MolWeight> (257)
292.33184

>  <PCAT_CMPD_ID> (257)
WAY-389904

>  <CNC_ID> (257)
359374013

>  <transfer_container_id> (257)
PTN000000070

>  <COMPOUND_NUMBER> (257)
WAY-389904

>  <BAR_CODE_NO> (257)
2542132

>  <LOCATION_CODE> (257)
PTNCS

>  <AMOUNT_CURRENT> (257)
32.3

$$$$
WAY-389975-A
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.5550    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4025    2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7520    2.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5940    0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281    0.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1813    2.1101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9936    2.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0326    0.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783    2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4192    4.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186    4.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3914    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7913    4.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1832    2.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2686    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786    0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    3.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0842    5.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4267    2.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4693    0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6885    0.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1343    0.0000 C   0  0  0  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  9  2  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  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 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
  7  8  2  0  0  0  0
 21 20  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C19H18N2O2

>  <MolWeight> (258)
306.35842

>  <PCAT_CMPD_ID> (258)
WAY-389975-A

>  <CNC_ID> (258)
359374082

>  <transfer_container_id> (258)
PTN000000070

>  <COMPOUND_NUMBER> (258)
WAY-389975-A

>  <BAR_CODE_NO> (258)
2542576

>  <LOCATION_CODE> (258)
PTNCS

>  <AMOUNT_CURRENT> (258)
32.1

$$$$
WAY-389981
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.7667   -6.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250   -4.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -5.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8792  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -8.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -4.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250  -10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -6.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917   -9.5875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792  -12.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292  -13.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917  -13.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -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  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 25  2  0  0  0  0
 28 24  1  0  0  0  0
 29 27  1  0  0  0  0
  4  5  1  0  0  0  0
 28 29  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (259)
259

>  <Formula> (259)
C21H21ClFN3O3

>  <MolWeight> (259)
417.8611432

>  <PCAT_CMPD_ID> (259)
WAY-389981

>  <CNC_ID> (259)
359374088

>  <transfer_container_id> (259)
PTN000000070

>  <COMPOUND_NUMBER> (259)
WAY-389981

>  <BAR_CODE_NO> (259)
2542582

>  <LOCATION_CODE> (259)
PTNCS

>  <AMOUNT_CURRENT> (259)
32

$$$$
WAY-389982
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.7667   -6.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -4.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -5.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8792  -10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -4.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250  -10.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250  -11.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -6.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917   -9.3750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792  -12.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292  -12.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917  -13.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -4.9042    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  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 24  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 26 28  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C20H19ClFN3O3

>  <MolWeight> (260)
403.8345632

>  <PCAT_CMPD_ID> (260)
WAY-389982

>  <CNC_ID> (260)
359374089

>  <transfer_container_id> (260)
PTN000000070

>  <COMPOUND_NUMBER> (260)
WAY-389982

>  <BAR_CODE_NO> (260)
2542583

>  <LOCATION_CODE> (260)
PTNCS

>  <AMOUNT_CURRENT> (260)
32.7

$$$$
WAY-389997
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   13.7125   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -7.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7375   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -9.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -7.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -8.7625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -6.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -6.5167    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  1  1  0  0  0  0
  5  9  2  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 19  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 15  1  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 11  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  1  0  0  0  0
  7  8  2  0  0  0  0
 13  6  2  0  0  0  0
M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C14H13Cl2NOS

>  <MolWeight> (261)
314.23012

>  <PCAT_CMPD_ID> (261)
WAY-389997

>  <CNC_ID> (261)
359374103

>  <transfer_container_id> (261)
PTN000000070

>  <COMPOUND_NUMBER> (261)
WAY-389997

>  <BAR_CODE_NO> (261)
2542598

>  <LOCATION_CODE> (261)
PTNCS

>  <AMOUNT_CURRENT> (261)
32.9

$$$$
WAY-390008
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.2750   -6.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -6.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -9.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -8.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -5.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750  -10.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125  -11.9917    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  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  1  1  0  0  0  0
 10  5  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  6  1  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 10  2  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 15  1  0  0  0  0
 23 17  2  0  0  0  0
 24 20  2  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
 25 26  2  0  0  0  0
 24 18  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
>  <Mol_ID> (262)
262

>  <Formula> (262)
C20H24N2O4S

>  <MolWeight> (262)
388.48056

>  <PCAT_CMPD_ID> (262)
WAY-390008

>  <CNC_ID> (262)
359374114

>  <transfer_container_id> (262)
PTN000000070

>  <COMPOUND_NUMBER> (262)
WAY-390008

>  <BAR_CODE_NO> (262)
2542616

>  <LOCATION_CODE> (262)
PTNCS

>  <AMOUNT_CURRENT> (262)
29.6

$$$$
WAY-390055
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.7917   -4.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -4.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -3.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -5.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -6.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -4.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -6.6750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.3667    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  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  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  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 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 11 17  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C14H19ClN2O3S

>  <MolWeight> (263)
330.83026

>  <PCAT_CMPD_ID> (263)
WAY-390055

>  <CNC_ID> (263)
359374161

>  <transfer_container_id> (263)
PTN000000070

>  <COMPOUND_NUMBER> (263)
WAY-390055

>  <BAR_CODE_NO> (263)
2542653

>  <LOCATION_CODE> (263)
PTNCS

>  <AMOUNT_CURRENT> (263)
32.9

$$$$
WAY-390064
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.8917   -7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -6.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -4.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6292   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -6.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042  -10.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -4.4375    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
   10.9417  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -3.4292    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  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  8 15  1  0  0  0  0
  9  3  2  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14 17  2  0  0  0  0
 15  3  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20  6  2  0  0  0  0
 21 10  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 21  1  0  0  0  0
 13 16  1  0  0  0  0
  6 10  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C20H19NO3S

>  <MolWeight> (264)
353.43476

>  <PCAT_CMPD_ID> (264)
WAY-390064

>  <CNC_ID> (264)
359374170

>  <transfer_container_id> (264)
PTN000000070

>  <COMPOUND_NUMBER> (264)
WAY-390064

>  <BAR_CODE_NO> (264)
2542668

>  <LOCATION_CODE> (264)
PTNCS

>  <AMOUNT_CURRENT> (264)
32.6

$$$$
WAY-390144
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2667   -4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -5.2875    0.0000 N   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
    7.1792   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -4.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -9.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -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  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  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10 15  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  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 19  2  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  2  0  0  0  0
 21 17  1  0  0  0  0
 22  7  2  0  0  0  0
 23 22  1  0  0  0  0
 24 11  1  0  0  0  0
 25 11  2  0  0  0  0
 26 23  2  0  0  0  0
 27 20  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
  5  3  1  0  0  0  0
 30 29  1  0  0  0  0
 20 26  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C23H19N3O3S

>  <MolWeight> (265)
417.48026

>  <PCAT_CMPD_ID> (265)
WAY-390144

>  <CNC_ID> (265)
359374249

>  <transfer_container_id> (265)
PTN000000070

>  <COMPOUND_NUMBER> (265)
WAY-390144

>  <BAR_CODE_NO> (265)
2542717

>  <LOCATION_CODE> (265)
PTNCS

>  <AMOUNT_CURRENT> (265)
32.4

$$$$
CL-376868
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5944   -0.0462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703   -0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116   -0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1461    0.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9565    0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8599   -0.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2013   -0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2116   -1.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    0.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8323    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7461   -0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504   -0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3332    1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2530   -0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3228   -0.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504   -1.6841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435    0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    0.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470    0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    0.9263    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6021    1.8159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3746    0.5090    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  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  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  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
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C17H13N3O4

>  <MolWeight> (266)
323.30282

>  <PCAT_CMPD_ID> (266)
CL-376868

>  <CNC_ID> (266)
359380537

>  <transfer_container_id> (266)
PTN000000071

>  <COMPOUND_NUMBER> (266)
CL-376868

>  <BAR_CODE_NO> (266)
3906009

>  <LOCATION_CODE> (266)
PTNCS

>  <AMOUNT_CURRENT> (266)
33.5

$$$$
CL-380504
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.1666    0.0041    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5814   -1.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592    1.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0848   -1.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7599   -2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4048   -0.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7626    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8238    2.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1733   -0.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588   -3.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -3.9967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174   -2.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0351   -2.2263    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976    2.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    1.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    4.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2656    1.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7936    1.5527    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  2  0  0  0  0
  6 14  1  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  3  0  0  0  0
 15 20  2  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  1  0  0  0  0
M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C14H10Cl2N4O

>  <MolWeight> (267)
321.1614

>  <PCAT_CMPD_ID> (267)
CL-380504

>  <CNC_ID> (267)
359380539

>  <transfer_container_id> (267)
PTN000000071

>  <COMPOUND_NUMBER> (267)
CL-380504

>  <BAR_CODE_NO> (267)
3905078

>  <LOCATION_CODE> (267)
PTNCS

>  <AMOUNT_CURRENT> (267)
33.2

$$$$
CL-415279
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.2960   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4443   -1.1035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    0.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1374   -1.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1374    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    0.3896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1374    1.8586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8443   -1.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1143   -0.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8557    0.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212    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  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  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
  9 14  2  0  0  0  0
 13 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
  7 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C13H14ClN3O

>  <MolWeight> (268)
263.72276

>  <PCAT_CMPD_ID> (268)
CL-415279

>  <CNC_ID> (268)
359380564

>  <transfer_container_id> (268)
PTN000000071

>  <COMPOUND_NUMBER> (268)
CL-415279

>  <BAR_CODE_NO> (268)
3905536

>  <LOCATION_CODE> (268)
PTNCS

>  <AMOUNT_CURRENT> (268)
33.5

$$$$
CL-426822
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.4857   -0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7111    0.5345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0055   -2.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857    1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    0.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4484   -2.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -3.1661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5013   -2.2557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911    0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257    1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7157    3.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989    1.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5898   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5944   -1.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -4.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7957    3.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0498    4.5385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1344    1.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1253   -0.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0574   -2.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2285   -4.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9089    0.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3835   -3.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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  3  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
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (269)
269

>  <Formula> (269)
C19H14N4O

>  <MolWeight> (269)
314.34066

>  <PCAT_CMPD_ID> (269)
CL-426822

>  <CNC_ID> (269)
359380589

>  <transfer_container_id> (269)
PTN000000071

>  <COMPOUND_NUMBER> (269)
CL-426822

>  <BAR_CODE_NO> (269)
3904132

>  <LOCATION_CODE> (269)
PTNCS

>  <AMOUNT_CURRENT> (269)
33.3

$$$$
GI-569793
csChFnd80/11182011152D

 29 30  0  0  0  0  0  0  0  0999 V2000
   -4.5572    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8867    1.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5572   -1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2517    1.2895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2242    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8867   -1.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9062    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2242   -1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5847    1.2895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9062   -1.0252    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5697   -1.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7609    0.5046    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.5857   -3.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8912   -1.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224    1.2895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7609   -1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4439    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7849   -1.0252    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7609   -2.5709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3226   -1.0252    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7734    1.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4439   -1.0252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0949    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4404    1.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4404    2.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    3.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    1.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    2.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
 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
 15 17  1  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
 17 22  2  0  0  0  0
 21 23  2  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
  6  8  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C19H16Cl3N3O3S

>  <MolWeight> (270)
472.77264

>  <PCAT_CMPD_ID> (270)
GI-569793

>  <CNC_ID> (270)
359380624

>  <transfer_container_id> (270)
PTN000000071

>  <COMPOUND_NUMBER> (270)
GI-569793

>  <BAR_CODE_NO> (270)
3904767

>  <LOCATION_CODE> (270)
PTNCS

>  <AMOUNT_CURRENT> (270)
33.3

$$$$
WAY-113767
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.5950   -5.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285   -5.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610   -5.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   -4.8270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4320   -6.9940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7265   -6.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4320   -4.8580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2820   -5.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8640   -5.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9970   -4.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990   -4.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1925   -6.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9470   -6.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9295   -4.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8985   -6.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -4.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -6.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1315   -7.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0145   -4.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960   -6.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1315   -4.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7670   -5.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3915   -5.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460   -5.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.9290    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 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  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  1  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  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  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 23  1  0  0  0  0
 25 22  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
 19 23  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C21H24O4

>  <MolWeight> (271)
340.41286

>  <PCAT_CMPD_ID> (271)
WAY-113767

>  <CNC_ID> (271)
359380648

>  <transfer_container_id> (271)
PTN000000071

>  <COMPOUND_NUMBER> (271)
WAY-113767

>  <BAR_CODE_NO> (271)
3905742

>  <LOCATION_CODE> (271)
PTNCS

>  <AMOUNT_CURRENT> (271)
33.4

$$$$
WAY-118448
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.5586   -0.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    0.4514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    0.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -2.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -2.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -2.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -2.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    0.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    1.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -3.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -3.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    1.3066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -4.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    1.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    1.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    2.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    1.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    2.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    3.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    2.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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  2  0  0  0  0
 14 17  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C21H24N2O4

>  <MolWeight> (272)
368.42626

>  <PCAT_CMPD_ID> (272)
WAY-118448

>  <CNC_ID> (272)
359380692

>  <transfer_container_id> (272)
PTN000000071

>  <COMPOUND_NUMBER> (272)
WAY-118448

>  <BAR_CODE_NO> (272)
3906150

>  <LOCATION_CODE> (272)
PTNCS

>  <AMOUNT_CURRENT> (272)
33.1

$$$$
WAY-227900
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.5409    2.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0695    3.6751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7419    1.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7419    3.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6781    3.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8353    4.7936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9152    2.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2267    3.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1734    4.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    4.9535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789    4.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5357    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    3.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3119    5.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1625    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  2  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  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13  4  2  0  0  0  0
 14  3  2  0  0  0  0
 15  5  2  0  0  0  0
 16  8  1  0  0  0  0
 17 10  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 17  2  0  0  0  0
  9 10  2  0  0  0  0
 20 21  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C15H13N3O3

>  <MolWeight> (273)
283.28202

>  <PCAT_CMPD_ID> (273)
WAY-227900

>  <CNC_ID> (273)
359380792

>  <transfer_container_id> (273)
PTN000000071

>  <COMPOUND_NUMBER> (273)
WAY-227900

>  <BAR_CODE_NO> (273)
3905215

>  <LOCATION_CODE> (273)
PTNCS

>  <AMOUNT_CURRENT> (273)
33.2

$$$$
WAY-229705
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.5030    0.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    0.0955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    0.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5030    0.0955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320   -0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0370    0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320   -0.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980    0.5845    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630   -1.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5780   -1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700    0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    1.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0030    1.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870   -1.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    1.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630   -1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0710   -2.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    0.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    1.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9990    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5580    1.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440    1.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  3  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  5  1  0  0  0  0
  8  6  1  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
 17 12  2  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
  7 15  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 12  1  0  0  0  0
 20 11  1  0  0  0  0
 11 21  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 23 24  2  0  0  0  0
  2  5  2  0  0  0  0
 14 16  2  0  0  0  0
 24 22  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C19H14N2O2S

>  <MolWeight> (274)
334.39166

>  <PCAT_CMPD_ID> (274)
WAY-229705

>  <CNC_ID> (274)
359380799

>  <transfer_container_id> (274)
PTN000000071

>  <COMPOUND_NUMBER> (274)
WAY-229705

>  <BAR_CODE_NO> (274)
3904380

>  <LOCATION_CODE> (274)
PTNCS

>  <AMOUNT_CURRENT> (274)
33.2

$$$$
WAY-230765
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.2093    2.7937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    2.0995    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4185    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    4.1879    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2093    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    2.7937    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4185    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9715    4.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    6.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7665    3.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    7.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9715    2.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2093    8.3980    0.0000 Br  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  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  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13 16  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
  6  4  1  0  0  0  0
  9 13  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C13H12BrNO2

>  <MolWeight> (275)
294.14388

>  <PCAT_CMPD_ID> (275)
WAY-230765

>  <CNC_ID> (275)
359380802

>  <transfer_container_id> (275)
PTN000000071

>  <COMPOUND_NUMBER> (275)
WAY-230765

>  <BAR_CODE_NO> (275)
3905234

>  <LOCATION_CODE> (275)
PTNCS

>  <AMOUNT_CURRENT> (275)
33.2

$$$$
WAY-231684
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.7845   -7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7385   -6.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0925   -7.7550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6730   -7.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8670   -9.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6640   -8.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0925   -8.6620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5080   -5.9550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3095   -7.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4850   -7.6725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3325   -5.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625  -10.0360    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9325   -6.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2135   -6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8710   -6.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3200   -6.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1755   -5.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4335   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2960   -4.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2030   -6.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1345   -3.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9815   -4.4385    0.0000 C   0  0  0  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  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 13  2  2  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 11  2  0  0  0  0
 18  4  1  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  7  5  1  0  0  0  0
 16 15  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C17H17N3OS2

>  <MolWeight> (276)
343.46638

>  <PCAT_CMPD_ID> (276)
WAY-231684

>  <CNC_ID> (276)
359380822

>  <transfer_container_id> (276)
PTN000000071

>  <COMPOUND_NUMBER> (276)
WAY-231684

>  <BAR_CODE_NO> (276)
3904542

>  <LOCATION_CODE> (276)
PTNCS

>  <AMOUNT_CURRENT> (276)
33.2

$$$$
WAY-233340-A
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5466    4.9007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3538    2.7952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7454    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7454    2.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3538    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5466    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9379    2.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9564    4.9007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9379    4.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    2.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9564    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856    0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1428    4.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1677    2.7952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3912    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5837    2.7952    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  2  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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  4  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 15  1  0  0  0  0
 19  5  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
  4  6  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C16H18ClN3O2

>  <MolWeight> (277)
319.78602

>  <PCAT_CMPD_ID> (277)
WAY-233340-A

>  <CNC_ID> (277)
359380840

>  <transfer_container_id> (277)
PTN000000071

>  <COMPOUND_NUMBER> (277)
WAY-233340-A

>  <BAR_CODE_NO> (277)
3904421

>  <LOCATION_CODE> (277)
PTNCS

>  <AMOUNT_CURRENT> (277)
33

$$$$
WAY-234611-A
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.7069    0.9416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690    0.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.3274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931    0.1726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724   -0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103   -2.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276   -2.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 15 16  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> (278)
278

>  <Formula> (278)
C13H17N3

>  <MolWeight> (278)
215.29418

>  <PCAT_CMPD_ID> (278)
WAY-234611-A

>  <CNC_ID> (278)
359380851

>  <transfer_container_id> (278)
PTN000000071

>  <COMPOUND_NUMBER> (278)
WAY-234611-A

>  <BAR_CODE_NO> (278)
3905249

>  <LOCATION_CODE> (278)
PTNCS

>  <AMOUNT_CURRENT> (278)
33.4

$$$$
WAY-239956
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.5623    0.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864    1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519    0.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5623    2.1969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0347    1.4210    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002   -0.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347   -0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519    1.8865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5726    0.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002   -1.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0347   -1.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3722    0.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6726   -2.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515   -0.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7964   -0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653    0.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   -1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136    0.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136   -1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6964   -0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481   -0.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -1.0514    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  1  0  0  0  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  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
 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  9  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C16H22N4O2S

>  <MolWeight> (279)
334.43648

>  <PCAT_CMPD_ID> (279)
WAY-239956

>  <CNC_ID> (279)
359380895

>  <transfer_container_id> (279)
PTN000000071

>  <COMPOUND_NUMBER> (279)
WAY-239956

>  <BAR_CODE_NO> (279)
3904736

>  <LOCATION_CODE> (279)
PTNCS

>  <AMOUNT_CURRENT> (279)
33.3

$$$$
WAY-243238-A
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6590   -1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -0.6971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590   -1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728   -0.2971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866    0.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -1.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590   -2.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107    0.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4617   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107   -2.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3901   -1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099    0.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3901   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    0.5650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8479    0.9685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651    1.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9099    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755    0.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893    1.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755    2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272    2.8029    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
  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  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
 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
 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
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
  9 10  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C20H19ClN2O4S2

>  <MolWeight> (280)
450.95886

>  <PCAT_CMPD_ID> (280)
WAY-243238-A

>  <CNC_ID> (280)
359380914

>  <transfer_container_id> (280)
PTN000000071

>  <COMPOUND_NUMBER> (280)
WAY-243238-A

>  <BAR_CODE_NO> (280)
3905729

>  <LOCATION_CODE> (280)
PTNCS

>  <AMOUNT_CURRENT> (280)
33.3

$$$$
WAY-301653
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.1633    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7978    1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2771    0.7963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633   -0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6633    1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530    2.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8358    0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461   -0.6554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2978    1.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    2.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746   -0.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0668    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4298   -0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1116   -1.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8815   -0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815   -1.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815   -0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849   -1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298   -1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436    0.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0332   -1.3761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9987    1.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3918   -2.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 22 24  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> (281)
281

>  <Formula> (281)
C18H16N2O3S

>  <MolWeight> (281)
340.39624

>  <PCAT_CMPD_ID> (281)
WAY-301653

>  <CNC_ID> (281)
359382639

>  <transfer_container_id> (281)
PTN000000071

>  <COMPOUND_NUMBER> (281)
WAY-301653

>  <BAR_CODE_NO> (281)
3904141

>  <LOCATION_CODE> (281)
PTNCS

>  <AMOUNT_CURRENT> (281)
33.1

$$$$
WAY-301691
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.3759    0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759    2.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    0.5310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345    2.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6966   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552   -2.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655    1.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448   -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  1  0  0  0  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  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
  5  9  1  0  0  0  0
 13 15  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C18H18N4OS

>  <MolWeight> (282)
338.42672

>  <PCAT_CMPD_ID> (282)
WAY-301691

>  <CNC_ID> (282)
359382677

>  <transfer_container_id> (282)
PTN000000071

>  <COMPOUND_NUMBER> (282)
WAY-301691

>  <BAR_CODE_NO> (282)
3904187

>  <LOCATION_CODE> (282)
PTNCS

>  <AMOUNT_CURRENT> (282)
33

$$$$
WAY-301709
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.9069    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -0.8655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    1.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -0.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069   -1.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0552   -0.0276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -0.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828   -1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  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
 10 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
 25 27  1  0  0  0  0
  9 14  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (283)
283

>  <Formula> (283)
C17H17ClN2O6S

>  <MolWeight> (283)
412.84468

>  <PCAT_CMPD_ID> (283)
WAY-301709

>  <CNC_ID> (283)
359382695

>  <transfer_container_id> (283)
PTN000000071

>  <COMPOUND_NUMBER> (283)
WAY-301709

>  <BAR_CODE_NO> (283)
3904207

>  <LOCATION_CODE> (283)
PTNCS

>  <AMOUNT_CURRENT> (283)
33.5

$$$$
WAY-301776
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.8000   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.9448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793   -2.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1793   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.7828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    2.9759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    1.9379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    2.0759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -3.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    2.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 26 27  1  0  0  0  0
 27 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> (284)
284

>  <Formula> (284)
C18H14F3N3O2S2

>  <MolWeight> (284)
425.4478696

>  <PCAT_CMPD_ID> (284)
WAY-301776

>  <CNC_ID> (284)
359382762

>  <transfer_container_id> (284)
PTN000000071

>  <COMPOUND_NUMBER> (284)
WAY-301776

>  <BAR_CODE_NO> (284)
3904288

>  <LOCATION_CODE> (284)
PTNCS

>  <AMOUNT_CURRENT> (284)
33.4

$$$$
WAY-301806
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -3.4862   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207    0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3862   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -0.5172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2552   -1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    1.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    0.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310   -0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.0000    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
  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
 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
 20 22  1  0  0  0  0
 21 23  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
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (285)
285

>  <Formula> (285)
C17H12N2O3S

>  <MolWeight> (285)
324.35378

>  <PCAT_CMPD_ID> (285)
WAY-301806

>  <CNC_ID> (285)
359382792

>  <transfer_container_id> (285)
PTN000000071

>  <COMPOUND_NUMBER> (285)
WAY-301806

>  <BAR_CODE_NO> (285)
3904322

>  <LOCATION_CODE> (285)
PTNCS

>  <AMOUNT_CURRENT> (285)
33.5

$$$$
WAY-301821
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0894   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935   -2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2894   -3.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444    0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9997   -1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728   -2.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2790   -2.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866    0.6207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    3.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9997    2.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    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  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
 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  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
  9 10  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (286)
286

>  <Formula> (286)
C14H13NO4S

>  <MolWeight> (286)
291.32232

>  <PCAT_CMPD_ID> (286)
WAY-301821

>  <CNC_ID> (286)
359382807

>  <transfer_container_id> (286)
PTN000000071

>  <COMPOUND_NUMBER> (286)
WAY-301821

>  <BAR_CODE_NO> (286)
3904338

>  <LOCATION_CODE> (286)
PTNCS

>  <AMOUNT_CURRENT> (286)
33.3

$$$$
WAY-301854
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1129   -0.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8285   -0.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991   -1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853   -0.1673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1147   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734   -0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389   -2.3811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2784   -2.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3198    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0320   -2.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3596   -0.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025   -1.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749   -3.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8611    1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113    0.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6320   -1.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9492    0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991    2.2844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4423    2.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0508    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8044    3.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853    3.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    3.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  9 14  1  0  0  0  0
  9 15  2  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
 14 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
 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
 11 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C19H25N3O3

>  <MolWeight> (287)
343.4201

>  <PCAT_CMPD_ID> (287)
WAY-301854

>  <CNC_ID> (287)
359382840

>  <transfer_container_id> (287)
PTN000000071

>  <COMPOUND_NUMBER> (287)
WAY-301854

>  <BAR_CODE_NO> (287)
3904375

>  <LOCATION_CODE> (287)
PTNCS

>  <AMOUNT_CURRENT> (287)
33.1

$$$$
WAY-301902
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.0814   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814    0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.5476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004    0.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5474    0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    0.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5474   -0.4696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916   -0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4066   -0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1194    0.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1676   -0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0464   -0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4066   -0.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456   -0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    0.8864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426   -0.1246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8004   -0.5026    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  2  1  0  0  0  0
  6  5  3  0  0  0  0
  7  1  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 15  1  0  0  0  0
 12  3  2  0  0  0  0
 13 12  1  0  0  0  0
 14 18  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  2  0  0  0  0
 16 18  2  0  0  0  0
 19 10  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
  4 13  2  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C16H14N2O3S

>  <MolWeight> (288)
314.35896

>  <PCAT_CMPD_ID> (288)
WAY-301902

>  <CNC_ID> (288)
359382888

>  <transfer_container_id> (288)
PTN000000071

>  <COMPOUND_NUMBER> (288)
WAY-301902

>  <BAR_CODE_NO> (288)
3904433

>  <LOCATION_CODE> (288)
PTNCS

>  <AMOUNT_CURRENT> (288)
33

$$$$
WAY-301949
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0911    0.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0911    1.0498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339    1.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8911   -0.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381    1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161    0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5286   -0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -1.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119   -1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -1.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6786   -1.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3411    0.0665    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3119   -1.8252    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506   -0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381    2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506    1.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589    1.0498    0.0000 C   0  0  0  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  2  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  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  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  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
  7  5  1  0  0  0  0
 11  9  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C15H10Cl2N2O

>  <MolWeight> (289)
305.1587

>  <PCAT_CMPD_ID> (289)
WAY-301949

>  <CNC_ID> (289)
359382935

>  <transfer_container_id> (289)
PTN000000071

>  <COMPOUND_NUMBER> (289)
WAY-301949

>  <BAR_CODE_NO> (289)
3904495

>  <LOCATION_CODE> (289)
PTNCS

>  <AMOUNT_CURRENT> (289)
33.4

$$$$
WAY-301997
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0821   -0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3352    0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821   -0.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4821    0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179    0.5340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4821   -0.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3352   -0.9108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8821   -0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5027    0.5340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    0.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    0.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -0.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8821   -0.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5027   -1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3027    0.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352    1.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    1.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1352   -0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179    1.4892    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
  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
  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
 13 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C16H21N3O

>  <MolWeight> (290)
271.35744

>  <PCAT_CMPD_ID> (290)
WAY-301997

>  <CNC_ID> (290)
359382983

>  <transfer_container_id> (290)
PTN000000071

>  <COMPOUND_NUMBER> (290)
WAY-301997

>  <BAR_CODE_NO> (290)
3904552

>  <LOCATION_CODE> (290)
PTNCS

>  <AMOUNT_CURRENT> (290)
33.2

$$$$
WAY-302003
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7552    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    0.7000    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
    0.0448    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.4207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -0.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -0.3621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -0.5621    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
  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
 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
  7 10  2  0  0  0  0
  9 16  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C16H18N4OS2

>  <MolWeight> (291)
346.47032

>  <PCAT_CMPD_ID> (291)
WAY-302003

>  <CNC_ID> (291)
359382989

>  <transfer_container_id> (291)
PTN000000071

>  <COMPOUND_NUMBER> (291)
WAY-302003

>  <BAR_CODE_NO> (291)
3904561

>  <LOCATION_CODE> (291)
PTNCS

>  <AMOUNT_CURRENT> (291)
33

$$$$
WAY-302004
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.0690    1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    2.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    1.5828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    2.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -1.2966    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
   -2.0897   -1.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793    1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793   -2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.4448    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  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  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  9  1  0  0  0  0
 13 15  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C18H17ClN4OS

>  <MolWeight> (292)
372.87178

>  <PCAT_CMPD_ID> (292)
WAY-302004

>  <CNC_ID> (292)
359382990

>  <transfer_container_id> (292)
PTN000000071

>  <COMPOUND_NUMBER> (292)
WAY-302004

>  <BAR_CODE_NO> (292)
3904562

>  <LOCATION_CODE> (292)
PTNCS

>  <AMOUNT_CURRENT> (292)
33.1

$$$$
WAY-302011
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.8034   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2586   -0.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690   -2.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    1.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3517   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -1.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448    1.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9241   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
  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
 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
  5  7  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C10H12N4O3S

>  <MolWeight> (293)
268.29228

>  <PCAT_CMPD_ID> (293)
WAY-302011

>  <CNC_ID> (293)
359382997

>  <transfer_container_id> (293)
PTN000000071

>  <COMPOUND_NUMBER> (293)
WAY-302011

>  <BAR_CODE_NO> (293)
3904569

>  <LOCATION_CODE> (293)
PTNCS

>  <AMOUNT_CURRENT> (293)
33.3

$$$$
WAY-302013
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8724   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7138    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7138   -1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -2.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103    1.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5655    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5483    1.0310    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  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  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
 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  1  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C18H13BrN2O3

>  <MolWeight> (294)
385.21142

>  <PCAT_CMPD_ID> (294)
WAY-302013

>  <CNC_ID> (294)
359382999

>  <transfer_container_id> (294)
PTN000000071

>  <COMPOUND_NUMBER> (294)
WAY-302013

>  <BAR_CODE_NO> (294)
3904571

>  <LOCATION_CODE> (294)
PTNCS

>  <AMOUNT_CURRENT> (294)
33.1

$$$$
WAY-302021
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.4586   -0.2276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0862   -0.5276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4586    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586   -1.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655   -1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586    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  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
  6 12  2  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
 13 16  1  0  0  0  0
  5  9  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C11H13N3O2

>  <MolWeight> (295)
219.23982

>  <PCAT_CMPD_ID> (295)
WAY-302021

>  <CNC_ID> (295)
359383007

>  <transfer_container_id> (295)
PTN000000071

>  <COMPOUND_NUMBER> (295)
WAY-302021

>  <BAR_CODE_NO> (295)
3904583

>  <LOCATION_CODE> (295)
PTNCS

>  <AMOUNT_CURRENT> (295)
33.2

$$$$
WAY-302065
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0103   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -0.6586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897   -1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9517   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483   -2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034    2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2621    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    0.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1483   -1.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2621    1.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379    3.1414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    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  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  1  0  0  0  0
  9 13  1  0  0  0  0
 15 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C14H15N3O4S2

>  <MolWeight> (296)
353.4166

>  <PCAT_CMPD_ID> (296)
WAY-302065

>  <CNC_ID> (296)
359383051

>  <transfer_container_id> (296)
PTN000000071

>  <COMPOUND_NUMBER> (296)
WAY-302065

>  <BAR_CODE_NO> (296)
3904637

>  <LOCATION_CODE> (296)
PTNCS

>  <AMOUNT_CURRENT> (296)
33.3

$$$$
WAY-302067
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3931   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.1241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    0.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966   -0.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207   -1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    0.4793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    1.7276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -3.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -3.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    2.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    1.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103    2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
 15 18  2  0  0  0  0
 16 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
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C15H12N2O5S2

>  <MolWeight> (297)
364.39618

>  <PCAT_CMPD_ID> (297)
WAY-302067

>  <CNC_ID> (297)
359383053

>  <transfer_container_id> (297)
PTN000000071

>  <COMPOUND_NUMBER> (297)
WAY-302067

>  <BAR_CODE_NO> (297)
3904639

>  <LOCATION_CODE> (297)
PTNCS

>  <AMOUNT_CURRENT> (297)
33.3

$$$$
WAY-302073
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1138    0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -0.5138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3931   -1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -1.1069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -1.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414   -0.6138    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
  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  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
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C13H12N4O3S

>  <MolWeight> (298)
304.32438

>  <PCAT_CMPD_ID> (298)
WAY-302073

>  <CNC_ID> (298)
359383059

>  <transfer_container_id> (298)
PTN000000071

>  <COMPOUND_NUMBER> (298)
WAY-302073

>  <BAR_CODE_NO> (298)
3904647

>  <LOCATION_CODE> (298)
PTNCS

>  <AMOUNT_CURRENT> (298)
33.3

$$$$
WAY-302112
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3207   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1690   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2897   -1.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.3862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690   -0.5379    0.0000 O   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
    3.4207    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586    1.4724    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
 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
 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> (299)
299

>  <Formula> (299)
C15H11ClN4O2S

>  <MolWeight> (299)
346.79144

>  <PCAT_CMPD_ID> (299)
WAY-302112

>  <CNC_ID> (299)
359383098

>  <transfer_container_id> (299)
PTN000000071

>  <COMPOUND_NUMBER> (299)
WAY-302112

>  <BAR_CODE_NO> (299)
3904699

>  <LOCATION_CODE> (299)
PTNCS

>  <AMOUNT_CURRENT> (299)
33.4

$$$$
WAY-302117
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.7926    0.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9509   -0.6248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301   -0.6040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9509    0.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301    0.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926   -1.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4491    0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0926    0.8960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759    0.8752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926   -2.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866    0.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4741   -0.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1366    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4634    1.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6259   -2.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3366   -0.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1699   -0.4040    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  3  2  0  0  0  0
  7 13  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  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 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  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
  2  6  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C13H20N4O2

>  <MolWeight> (300)
264.3235

>  <PCAT_CMPD_ID> (300)
WAY-302117

>  <CNC_ID> (300)
359383103

>  <transfer_container_id> (300)
PTN000000071

>  <COMPOUND_NUMBER> (300)
WAY-302117

>  <BAR_CODE_NO> (300)
3904704

>  <LOCATION_CODE> (300)
PTNCS

>  <AMOUNT_CURRENT> (300)
33.3

$$$$
WAY-302129
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.5448    0.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966    1.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    2.6451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -1.8342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034    2.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    3.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -1.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    0.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345   -1.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448   -0.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    3.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862   -1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759   -3.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552   -2.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0138   -0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4759   -3.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  7 13  2  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
 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
 17 21  1  0  0  0  0
 19 22  2  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> (301)
301

>  <Formula> (301)
C19H16N2O

>  <MolWeight> (301)
288.34314

>  <PCAT_CMPD_ID> (301)
WAY-302129

>  <CNC_ID> (301)
359383115

>  <transfer_container_id> (301)
PTN000000071

>  <COMPOUND_NUMBER> (301)
WAY-302129

>  <BAR_CODE_NO> (301)
3904719

>  <LOCATION_CODE> (301)
PTNCS

>  <AMOUNT_CURRENT> (301)
33.3

$$$$
WAY-302135
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.2379    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    0.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    1.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    1.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    1.0897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -0.4207    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  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  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  9  2  0  0  0  0
 11 13  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (302)
302

>  <Formula> (302)
C17H15ClN4OS

>  <MolWeight> (302)
358.8452

>  <PCAT_CMPD_ID> (302)
WAY-302135

>  <CNC_ID> (302)
359383121

>  <transfer_container_id> (302)
PTN000000071

>  <COMPOUND_NUMBER> (302)
WAY-302135

>  <BAR_CODE_NO> (302)
3904730

>  <LOCATION_CODE> (302)
PTNCS

>  <AMOUNT_CURRENT> (302)
33.5

$$$$
WAY-302136
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.9690    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690    0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3379    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0103   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483    0.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -0.2138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8172   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3793   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -0.5552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4931   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7621    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  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  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  9  2  0  0  0  0
 13 15  1  0  0  0  0
 22 23  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C21H19N5OS2

>  <MolWeight> (303)
421.53846

>  <PCAT_CMPD_ID> (303)
WAY-302136

>  <CNC_ID> (303)
359383122

>  <transfer_container_id> (303)
PTN000000071

>  <COMPOUND_NUMBER> (303)
WAY-302136

>  <BAR_CODE_NO> (303)
3904731

>  <LOCATION_CODE> (303)
PTNCS

>  <AMOUNT_CURRENT> (303)
33.3

$$$$
WAY-302197
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.0135    0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377   -0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9623   -0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0106    1.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0308    0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9623   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9761    0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308    1.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9934    1.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0308   -2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032   -2.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0377   -0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0756    1.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9761   -2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2416   -2.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278    1.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8894    3.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0347    2.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0377   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934    3.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5756   -2.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9894   -1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003   -2.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382   -0.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    4.6771    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  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
 23 28  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> (304)
304

>  <Formula> (304)
C23H27ClO4

>  <MolWeight> (304)
402.91108

>  <PCAT_CMPD_ID> (304)
WAY-302197

>  <CNC_ID> (304)
359383183

>  <transfer_container_id> (304)
PTN000000071

>  <COMPOUND_NUMBER> (304)
WAY-302197

>  <BAR_CODE_NO> (304)
3904815

>  <LOCATION_CODE> (304)
PTNCS

>  <AMOUNT_CURRENT> (304)
33.2

$$$$
WAY-302205
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9581   -0.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7616   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064   -0.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6374    0.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3478    0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9961   -1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5961   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961    0.4729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1581   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867   -0.6098    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961   -0.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522   -0.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867    0.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7419   -1.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626    0.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660   -0.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8246    1.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    1.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315    0.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    1.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2764    1.5867    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  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
 17 20  1  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
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C15H12N4O3S

>  <MolWeight> (305)
328.34578

>  <PCAT_CMPD_ID> (305)
WAY-302205

>  <CNC_ID> (305)
359383191

>  <transfer_container_id> (305)
PTN000000071

>  <COMPOUND_NUMBER> (305)
WAY-302205

>  <BAR_CODE_NO> (305)
3904824

>  <LOCATION_CODE> (305)
PTNCS

>  <AMOUNT_CURRENT> (305)
28.08

$$$$
WAY-302206
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.2241    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.3828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862    0.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    1.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345   -1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8862    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8862    1.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5655   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4862   -1.3690    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
  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
 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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7  9  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C13H18N4OS

>  <MolWeight> (306)
278.37322

>  <PCAT_CMPD_ID> (306)
WAY-302206

>  <CNC_ID> (306)
359383192

>  <transfer_container_id> (306)
PTN000000071

>  <COMPOUND_NUMBER> (306)
WAY-302206

>  <BAR_CODE_NO> (306)
3904825

>  <LOCATION_CODE> (306)
PTNCS

>  <AMOUNT_CURRENT> (306)
33.2

$$$$
WAY-302259
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.8760    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8760    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932   -0.2175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622   -0.2175    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0415    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932   -0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0415    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861    0.7721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932    1.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8760   -1.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8758    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -1.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8758   -0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8758   -2.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585   -1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482    1.1100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585   -1.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482    1.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 10 15  1  0  0  0  0
 12 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  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  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C18H23N3O2S

>  <MolWeight> (307)
345.45912

>  <PCAT_CMPD_ID> (307)
WAY-302259

>  <CNC_ID> (307)
359383245

>  <transfer_container_id> (307)
PTN000000071

>  <COMPOUND_NUMBER> (307)
WAY-302259

>  <BAR_CODE_NO> (307)
3904886

>  <LOCATION_CODE> (307)
PTNCS

>  <AMOUNT_CURRENT> (307)
33.5

$$$$
WAY-302303
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.8926    0.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823    0.9252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3108    1.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0961   -1.0990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    2.3217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315    0.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064   -1.3473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5892    0.1769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315   -1.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7798    1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7488   -1.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9970    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9832   -1.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 10 12  2  0  0  0  0
 11 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> (308)
308

>  <Formula> (308)
C9H10N4S

>  <MolWeight> (308)
206.2675

>  <PCAT_CMPD_ID> (308)
WAY-302303

>  <CNC_ID> (308)
359383289

>  <transfer_container_id> (308)
PTN000000071

>  <COMPOUND_NUMBER> (308)
WAY-302303

>  <BAR_CODE_NO> (308)
3904934

>  <LOCATION_CODE> (308)
PTNCS

>  <AMOUNT_CURRENT> (308)
33.5

$$$$
WAY-302309
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.7424   -0.2389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0873   -1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045   -0.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700    0.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0252   -0.8079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7424   -2.0527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7666   -0.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0079    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852   -1.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7666   -2.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7493   -0.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    0.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9231   -1.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7493   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300    0.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8783    2.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8231    2.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8610   -1.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231    2.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7989    2.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7783    3.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
 12 15  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C19H19N3O2

>  <MolWeight> (309)
321.37306

>  <PCAT_CMPD_ID> (309)
WAY-302309

>  <CNC_ID> (309)
359383295

>  <transfer_container_id> (309)
PTN000000071

>  <COMPOUND_NUMBER> (309)
WAY-302309

>  <BAR_CODE_NO> (309)
3904941

>  <LOCATION_CODE> (309)
PTNCS

>  <AMOUNT_CURRENT> (309)
33.4

$$$$
WAY-302317
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.8759    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    3.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    3.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -0.5828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172    0.9483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241    1.8655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0966    0.0586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -0.5828    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
   -0.8621   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241   -2.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -0.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759   -2.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931   -2.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0345   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9414   -2.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4034   -2.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3828   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 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
 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
 28 30  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C20H19F3N4O2S

>  <MolWeight> (310)
436.4506696

>  <PCAT_CMPD_ID> (310)
WAY-302317

>  <CNC_ID> (310)
359383303

>  <transfer_container_id> (310)
PTN000000071

>  <COMPOUND_NUMBER> (310)
WAY-302317

>  <BAR_CODE_NO> (310)
3904949

>  <LOCATION_CODE> (310)
PTNCS

>  <AMOUNT_CURRENT> (310)
33.4

$$$$
WAY-302361
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.1414    0.1897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2759   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    0.6414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    1.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138    3.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -2.1310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3862   -2.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -2.5793    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
  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
  9 14  2  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
 14 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
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 11 15  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C21H18N2O3S

>  <MolWeight> (311)
378.44422

>  <PCAT_CMPD_ID> (311)
WAY-302361

>  <CNC_ID> (311)
359383347

>  <transfer_container_id> (311)
PTN000000071

>  <COMPOUND_NUMBER> (311)
WAY-302361

>  <BAR_CODE_NO> (311)
3904999

>  <LOCATION_CODE> (311)
PTNCS

>  <AMOUNT_CURRENT> (311)
33

$$$$
WAY-302386
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.7759    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759    0.4172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    1.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724   -2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241   -2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241   -3.7069    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  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
 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
 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
  9 11  2  0  0  0  0
 13 15  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C22H20N2O2

>  <MolWeight> (312)
344.4064

>  <PCAT_CMPD_ID> (312)
WAY-302386

>  <CNC_ID> (312)
359383372

>  <transfer_container_id> (312)
PTN000000071

>  <COMPOUND_NUMBER> (312)
WAY-302386

>  <BAR_CODE_NO> (312)
3905026

>  <LOCATION_CODE> (312)
PTNCS

>  <AMOUNT_CURRENT> (312)
33.4

$$$$
WAY-302389
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2586   -0.2621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4552   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -1.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -1.9517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -1.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    3.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552    3.4586    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  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
  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  1  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  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C17H15N3O2

>  <MolWeight> (313)
293.3199

>  <PCAT_CMPD_ID> (313)
WAY-302389

>  <CNC_ID> (313)
359383375

>  <transfer_container_id> (313)
PTN000000071

>  <COMPOUND_NUMBER> (313)
WAY-302389

>  <BAR_CODE_NO> (313)
3905029

>  <LOCATION_CODE> (313)
PTNCS

>  <AMOUNT_CURRENT> (313)
33.4

$$$$
WAY-302393
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.4379   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -1.6690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -1.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    1.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793    0.7483    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7172    1.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690    0.4862    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  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  2  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
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C14H10N4O2S

>  <MolWeight> (314)
298.3198

>  <PCAT_CMPD_ID> (314)
WAY-302393

>  <CNC_ID> (314)
359383379

>  <transfer_container_id> (314)
PTN000000071

>  <COMPOUND_NUMBER> (314)
WAY-302393

>  <BAR_CODE_NO> (314)
3905034

>  <LOCATION_CODE> (314)
PTNCS

>  <AMOUNT_CURRENT> (314)
33.4

$$$$
WAY-302402
csChFnd80/11182011152D

 29 32  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
    2.8000   -0.5000    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
    1.4875    1.2333    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
    2.5500    0.2708    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
    3.9042    0.7125    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
    4.1542   -0.0667    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
   -3.0833   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792    1.1458    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
  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 14  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  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 24  1  0  0  0  0
 22  8  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25  9  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  1  0  0  0  0
  9  7  1  0  0  0  0
  3  6  2  0  0  0  0
 29 25  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C22H22N2O3S2

>  <MolWeight> (315)
426.55168

>  <PCAT_CMPD_ID> (315)
WAY-302402

>  <CNC_ID> (315)
359383388

>  <transfer_container_id> (315)
PTN000000071

>  <COMPOUND_NUMBER> (315)
WAY-302402

>  <BAR_CODE_NO> (315)
3905045

>  <LOCATION_CODE> (315)
PTNCS

>  <AMOUNT_CURRENT> (315)
33.1

$$$$
WAY-302404
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.4643    0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1815   -0.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643    1.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7471   -0.1936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1856   -1.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9028    0.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6116   -1.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6075   -0.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8945   -1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3288   -1.4362    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8219    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0341    0.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1132   -0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5433   -0.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8219    1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   -0.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3960    0.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349    1.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2563    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521    1.0697    0.0000 C   0  0  0  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  9  2  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  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 11  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
  7  8  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C17H18ClNO

>  <MolWeight> (316)
287.78392

>  <PCAT_CMPD_ID> (316)
WAY-302404

>  <CNC_ID> (316)
359383390

>  <transfer_container_id> (316)
PTN000000071

>  <COMPOUND_NUMBER> (316)
WAY-302404

>  <BAR_CODE_NO> (316)
3905047

>  <LOCATION_CODE> (316)
PTNCS

>  <AMOUNT_CURRENT> (316)
33.3

$$$$
WAY-302408
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.7862    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -1.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -0.6828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -2.8207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -1.6897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -2.5207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    2.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241    3.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -2.1000    0.0000 O   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
   -2.5069    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483    0.7517    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  2  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
 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
 14 20  1  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  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  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 14  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C19H20F3N3O4S

>  <MolWeight> (317)
443.4400096

>  <PCAT_CMPD_ID> (317)
WAY-302408

>  <CNC_ID> (317)
359383394

>  <transfer_container_id> (317)
PTN000000071

>  <COMPOUND_NUMBER> (317)
WAY-302408

>  <BAR_CODE_NO> (317)
3905051

>  <LOCATION_CODE> (317)
PTNCS

>  <AMOUNT_CURRENT> (317)
33.2

$$$$
WAY-302425
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1759    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517   -0.1690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8931   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448   -0.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517   -2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -2.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    1.0586    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  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
 10 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
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
  9 13  2  0  0  0  0
 15 16  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C17H16N2O2S

>  <MolWeight> (318)
312.38614

>  <PCAT_CMPD_ID> (318)
WAY-302425

>  <CNC_ID> (318)
359383411

>  <transfer_container_id> (318)
PTN000000071

>  <COMPOUND_NUMBER> (318)
WAY-302425

>  <BAR_CODE_NO> (318)
3905069

>  <LOCATION_CODE> (318)
PTNCS

>  <AMOUNT_CURRENT> (318)
33.5

$$$$
WAY-302428
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.7759    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -0.7517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    1.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    0.3897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    3.6483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    2.7310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    2.8690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -1.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862   -2.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -0.6517    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -3.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448   -2.6897    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  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  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
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C17H11F4N3OS2

>  <MolWeight> (319)
413.4123528

>  <PCAT_CMPD_ID> (319)
WAY-302428

>  <CNC_ID> (319)
359383414

>  <transfer_container_id> (319)
PTN000000071

>  <COMPOUND_NUMBER> (319)
WAY-302428

>  <BAR_CODE_NO> (319)
3905072

>  <LOCATION_CODE> (319)
PTNCS

>  <AMOUNT_CURRENT> (319)
33.3

$$$$
WAY-302429
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2909   -0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9633    0.0219    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -1.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323    0.4288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564    0.6771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668   -0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0436   -0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288   -1.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702    0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185    1.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194   -1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426    0.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564    1.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436   -0.3747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6884    0.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9357    1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0056    0.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6677   -0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9988    0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988    0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6677    1.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229    0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9781   -0.3919    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.9298   -1.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6505   -0.0436    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
  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  2  0  0  0  0
 26 28  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> (320)
320

>  <Formula> (320)
C19H21N3O5S

>  <MolWeight> (320)
403.45214

>  <PCAT_CMPD_ID> (320)
WAY-302429

>  <CNC_ID> (320)
359383415

>  <transfer_container_id> (320)
PTN000000071

>  <COMPOUND_NUMBER> (320)
WAY-302429

>  <BAR_CODE_NO> (320)
3905073

>  <LOCATION_CODE> (320)
PTNCS

>  <AMOUNT_CURRENT> (320)
33.3

$$$$
WAY-302430
csChFnd80/11182011152D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.2690   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -2.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.2793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -2.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034   -2.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    2.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8966    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9690    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  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
 16 17  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C9H13N3O4S

>  <MolWeight> (321)
259.28222

>  <PCAT_CMPD_ID> (321)
WAY-302430

>  <CNC_ID> (321)
359383416

>  <transfer_container_id> (321)
PTN000000071

>  <COMPOUND_NUMBER> (321)
WAY-302430

>  <BAR_CODE_NO> (321)
3905075

>  <LOCATION_CODE> (321)
PTNCS

>  <AMOUNT_CURRENT> (321)
33.5

$$$$
WAY-302445
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.5241    0.0069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5172   -0.7724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5241    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    0.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    1.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621    2.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -2.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    3.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241   -2.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -0.2241    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  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
 13 18  1  0  0  0  0
 13 19  2  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
 18 23  1  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
 28 29  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
 16 20  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C21H18ClN3O4

>  <MolWeight> (322)
411.83832

>  <PCAT_CMPD_ID> (322)
WAY-302445

>  <CNC_ID> (322)
359383431

>  <transfer_container_id> (322)
PTN000000071

>  <COMPOUND_NUMBER> (322)
WAY-302445

>  <BAR_CODE_NO> (322)
3905095

>  <LOCATION_CODE> (322)
PTNCS

>  <AMOUNT_CURRENT> (322)
33.3

$$$$
WAY-302456
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.2763   -0.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9410   -1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4866   -1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211   -0.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763   -2.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    1.2070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030   -3.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590   -3.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4306   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893    0.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797   -0.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556    2.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4203   -2.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996   -4.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6789   -0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0556    2.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6686   -3.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9203   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487    4.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9237   -2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0556    4.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1556    3.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  6 13  2  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
 10 17  2  0  0  0  0
 12 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
 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  9  1  0  0  0  0
  8 11  2  0  0  0  0
 12 16  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C22H14N2O3

>  <MolWeight> (323)
354.35816

>  <PCAT_CMPD_ID> (323)
WAY-302456

>  <CNC_ID> (323)
359383442

>  <transfer_container_id> (323)
PTN000000071

>  <COMPOUND_NUMBER> (323)
WAY-302456

>  <BAR_CODE_NO> (323)
3905108

>  <LOCATION_CODE> (323)
PTNCS

>  <AMOUNT_CURRENT> (323)
33.4

$$$$
WAY-302465
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.6862    0.1069    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
    0.6862   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -0.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586   -0.5931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9414   -0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931   -0.6759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8931   -0.0276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931    0.2069    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  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
  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  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
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C15H24N2O2S

>  <MolWeight> (324)
296.42826

>  <PCAT_CMPD_ID> (324)
WAY-302465

>  <CNC_ID> (324)
359383451

>  <transfer_container_id> (324)
PTN000000071

>  <COMPOUND_NUMBER> (324)
WAY-302465

>  <BAR_CODE_NO> (324)
3905118

>  <LOCATION_CODE> (324)
PTNCS

>  <AMOUNT_CURRENT> (324)
33

$$$$
WAY-302471-A
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.1897   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    0.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.0793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    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  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
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C14H11N3OS

>  <MolWeight> (325)
269.32164

>  <PCAT_CMPD_ID> (325)
WAY-302471-A

>  <CNC_ID> (325)
359383457

>  <transfer_container_id> (325)
PTN000000071

>  <COMPOUND_NUMBER> (325)
WAY-302471-A

>  <BAR_CODE_NO> (325)
3905125

>  <LOCATION_CODE> (325)
PTNCS

>  <AMOUNT_CURRENT> (325)
33.1

$$$$
WAY-302473
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.2966   -0.1828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6448    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    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  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
  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  2  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  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
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  6 11  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C20H15NO3

>  <MolWeight> (326)
317.338

>  <PCAT_CMPD_ID> (326)
WAY-302473

>  <CNC_ID> (326)
359383459

>  <transfer_container_id> (326)
PTN000000071

>  <COMPOUND_NUMBER> (326)
WAY-302473

>  <BAR_CODE_NO> (326)
3905127

>  <LOCATION_CODE> (326)
PTNCS

>  <AMOUNT_CURRENT> (326)
33.2

$$$$
WAY-302474
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.4347    1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964    0.4245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243    2.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864    0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6550   -0.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860    1.4556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -0.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864    2.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6067    2.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450    1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761   -0.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6550   -1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243    2.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -2.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -2.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933    2.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -3.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -3.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6550   -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  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  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
 17 19  1  0  0  0  0
 10 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C14H16N2O2S

>  <MolWeight> (327)
276.35404

>  <PCAT_CMPD_ID> (327)
WAY-302474

>  <CNC_ID> (327)
359383460

>  <transfer_container_id> (327)
PTN000000071

>  <COMPOUND_NUMBER> (327)
WAY-302474

>  <BAR_CODE_NO> (327)
3905129

>  <LOCATION_CODE> (327)
PTNCS

>  <AMOUNT_CURRENT> (327)
33.1

$$$$
WAY-302476
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.5276    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -0.8103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  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> (328)
328

>  <Formula> (328)
C11H10N2OS

>  <MolWeight> (328)
218.2749

>  <PCAT_CMPD_ID> (328)
WAY-302476

>  <CNC_ID> (328)
359383462

>  <transfer_container_id> (328)
PTN000000071

>  <COMPOUND_NUMBER> (328)
WAY-302476

>  <BAR_CODE_NO> (328)
3905131

>  <LOCATION_CODE> (328)
PTNCS

>  <AMOUNT_CURRENT> (328)
33.2

$$$$
WAY-302477
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.1074   -0.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1074    0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409   -0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3488   -0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409    0.2209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409   -0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3488   -0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409    0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1074   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0902    0.6692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3719    0.6692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1074   -1.0619    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2823    0.9381    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
  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  2  0  0  0  0
 11 14  1  0  0  0  0
  7  9  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C9H8ClN3S

>  <MolWeight> (329)
225.69792

>  <PCAT_CMPD_ID> (329)
WAY-302477

>  <CNC_ID> (329)
359383463

>  <transfer_container_id> (329)
PTN000000071

>  <COMPOUND_NUMBER> (329)
WAY-302477

>  <BAR_CODE_NO> (329)
3905132

>  <LOCATION_CODE> (329)
PTNCS

>  <AMOUNT_CURRENT> (329)
33.3

$$$$
WAY-302479
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.4483   -0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034   -1.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -0.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    0.9448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1034    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    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  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
 15 16  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C11H16N4S

>  <MolWeight> (330)
236.33654

>  <PCAT_CMPD_ID> (330)
WAY-302479

>  <CNC_ID> (330)
359383465

>  <transfer_container_id> (330)
PTN000000071

>  <COMPOUND_NUMBER> (330)
WAY-302479

>  <BAR_CODE_NO> (330)
3905135

>  <LOCATION_CODE> (330)
PTNCS

>  <AMOUNT_CURRENT> (330)
33.5

$$$$
WAY-302482
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.2675    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3910    3.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5310    2.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2675    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1440    4.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5310    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3910   -1.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7365    3.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3085    6.3705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7365   -1.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2920    6.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510    4.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735    0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8765    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8765    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4735    3.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5555    0.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7450   -0.5105    0.0000 C   0  0  0  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  7  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  2  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  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  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 16  1  0  0  0  0
 21 19  1  0  0  0  0
  6  3  2  0  0  0  0
 17 19  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C18H14O3

>  <MolWeight> (331)
278.30196

>  <PCAT_CMPD_ID> (331)
WAY-302482

>  <CNC_ID> (331)
359383468

>  <transfer_container_id> (331)
PTN000000071

>  <COMPOUND_NUMBER> (331)
WAY-302482

>  <BAR_CODE_NO> (331)
3905138

>  <LOCATION_CODE> (331)
PTNCS

>  <AMOUNT_CURRENT> (331)
33.3

$$$$
WAY-302484
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.4768   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4768    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2906   -1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -1.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2906    0.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0768   -0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3113   -2.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423   -0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0768    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1009   -2.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0216   -1.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0216    0.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8370    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267    1.3871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0508    1.5664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    0.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9887    1.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6853   -0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232    1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198   -0.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163    0.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5232    1.7802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163    2.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 16 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
 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
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C19H14N2O5

>  <MolWeight> (332)
350.32486

>  <PCAT_CMPD_ID> (332)
WAY-302484

>  <CNC_ID> (332)
359383470

>  <transfer_container_id> (332)
PTN000000071

>  <COMPOUND_NUMBER> (332)
WAY-302484

>  <BAR_CODE_NO> (332)
3905141

>  <LOCATION_CODE> (332)
PTNCS

>  <AMOUNT_CURRENT> (332)
33.1

$$$$
WAY-302505
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.8034   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069   -0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.4862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6103   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -1.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759   -1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   -2.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1621    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  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  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
 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
 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
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 16 17  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C23H30N2O2

>  <MolWeight> (333)
366.4965

>  <PCAT_CMPD_ID> (333)
WAY-302505

>  <CNC_ID> (333)
359383491

>  <transfer_container_id> (333)
PTN000000071

>  <COMPOUND_NUMBER> (333)
WAY-302505

>  <BAR_CODE_NO> (333)
3905163

>  <LOCATION_CODE> (333)
PTNCS

>  <AMOUNT_CURRENT> (333)
33.3

$$$$
WAY-302510
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0279   -1.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997   -1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279   -2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446   -1.9718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377   -0.6304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997   -2.5959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -2.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486   -1.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3066   -3.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4239   -2.8131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486   -2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    0.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1549    1.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244    2.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    2.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8761    2.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1101    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830    2.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968    3.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1451    3.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
  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> (334)
334

>  <Formula> (334)
C16H14N2O4S

>  <MolWeight> (334)
330.35836

>  <PCAT_CMPD_ID> (334)
WAY-302510

>  <CNC_ID> (334)
359383496

>  <transfer_container_id> (334)
PTN000000071

>  <COMPOUND_NUMBER> (334)
WAY-302510

>  <BAR_CODE_NO> (334)
3905170

>  <LOCATION_CODE> (334)
PTNCS

>  <AMOUNT_CURRENT> (334)
33.1

$$$$
WAY-302520
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.7234    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7234    1.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3372    0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3372    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6303    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062   -0.4427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9510    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062    2.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9510    1.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9303    0.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1386    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4869   -0.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4869    0.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041   -0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5593   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317   -1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110   -0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317   -1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317   -0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3869   -1.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7386   -1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  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
  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> (335)
335

>  <Formula> (335)
C20H20N2O4

>  <MolWeight> (335)
352.3838

>  <PCAT_CMPD_ID> (335)
WAY-302520

>  <CNC_ID> (335)
359383506

>  <transfer_container_id> (335)
PTN000000071

>  <COMPOUND_NUMBER> (335)
WAY-302520

>  <BAR_CODE_NO> (335)
3905183

>  <LOCATION_CODE> (335)
PTNCS

>  <AMOUNT_CURRENT> (335)
33.4

$$$$
WAY-302524
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.1655    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448   -0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    1.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8655   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    1.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138    0.4379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    2.7379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862    2.8379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655    3.6172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -1.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345   -2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724   -3.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931   -1.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345   -0.1241    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  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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  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> (336)
336

>  <Formula> (336)
C19H15F3N4O3S

>  <MolWeight> (336)
436.4076096

>  <PCAT_CMPD_ID> (336)
WAY-302524

>  <CNC_ID> (336)
359383510

>  <transfer_container_id> (336)
PTN000000071

>  <COMPOUND_NUMBER> (336)
WAY-302524

>  <BAR_CODE_NO> (336)
3905187

>  <LOCATION_CODE> (336)
PTNCS

>  <AMOUNT_CURRENT> (336)
33.4

$$$$
WAY-302532
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.4172    0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    0.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -1.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -1.4862    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
    1.4483    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483    3.0862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    1.8862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    1.8862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241    0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172   -2.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    0.5207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6241    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4276   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862   -3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0241    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0138   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    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  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
 21 26  1  0  0  0  0
 24 27  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
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C18H17F3N4O2

>  <MolWeight> (337)
378.3483896

>  <PCAT_CMPD_ID> (337)
WAY-302532

>  <CNC_ID> (337)
359383518

>  <transfer_container_id> (337)
PTN000000071

>  <COMPOUND_NUMBER> (337)
WAY-302532

>  <BAR_CODE_NO> (337)
3905195

>  <LOCATION_CODE> (337)
PTNCS

>  <AMOUNT_CURRENT> (337)
33.2

$$$$
WAY-302547
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0451    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313    1.2097    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313   -0.3420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210    0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1624   -1.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169    0.2270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1313   -1.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894    1.9891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9589   -0.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928    1.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9106   -1.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6894    2.5477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0727   -2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3376    0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6376   -0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6687   -0.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411    1.3270    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9549   -0.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894   -1.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3376   -2.1799    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
 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
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 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
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C16H11Cl2N3O2S

>  <MolWeight> (338)
380.24844

>  <PCAT_CMPD_ID> (338)
WAY-302547

>  <CNC_ID> (338)
359383533

>  <transfer_container_id> (338)
PTN000000071

>  <COMPOUND_NUMBER> (338)
WAY-302547

>  <BAR_CODE_NO> (338)
3905213

>  <LOCATION_CODE> (338)
PTNCS

>  <AMOUNT_CURRENT> (338)
33.3

$$$$
WAY-302559
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.6345    0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.2138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1034    1.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -1.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172    3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -3.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -4.0448    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
  4  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
 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
 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
  5  8  1  0  0  0  0
 15 18  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C19H19NO3

>  <MolWeight> (339)
309.35906

>  <PCAT_CMPD_ID> (339)
WAY-302559

>  <CNC_ID> (339)
359383546

>  <transfer_container_id> (339)
PTN000000071

>  <COMPOUND_NUMBER> (339)
WAY-302559

>  <BAR_CODE_NO> (339)
3905227

>  <LOCATION_CODE> (339)
PTNCS

>  <AMOUNT_CURRENT> (339)
33.3

$$$$
WAY-302579
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.3759    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    0.0241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0345    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.6448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621    1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    0.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    0.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -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
  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
 10 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
 15 18  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C12H15NO4S

>  <MolWeight> (340)
269.3168

>  <PCAT_CMPD_ID> (340)
WAY-302579

>  <CNC_ID> (340)
359383565

>  <transfer_container_id> (340)
PTN000000071

>  <COMPOUND_NUMBER> (340)
WAY-302579

>  <BAR_CODE_NO> (340)
3905256

>  <LOCATION_CODE> (340)
PTNCS

>  <AMOUNT_CURRENT> (340)
33.2

$$$$
WAY-302584
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.7586   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586    0.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -0.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586   -0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    1.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724    1.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276    0.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414   -3.0724    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  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
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  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
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C17H15N7O

>  <MolWeight> (341)
333.3473

>  <PCAT_CMPD_ID> (341)
WAY-302584

>  <CNC_ID> (341)
359383570

>  <transfer_container_id> (341)
PTN000000071

>  <COMPOUND_NUMBER> (341)
WAY-302584

>  <BAR_CODE_NO> (341)
3905261

>  <LOCATION_CODE> (341)
PTNCS

>  <AMOUNT_CURRENT> (341)
33.2

$$$$
WAY-302596
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.8308    1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481    1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101    1.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481    2.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101    2.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5312    1.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826    1.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5312    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2519    1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2519    0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209   -1.0928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    0.1727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209   -1.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036   -2.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -2.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2209   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657   -1.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1964   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174   -3.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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
  8 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C19H22N2O

>  <MolWeight> (342)
294.39078

>  <PCAT_CMPD_ID> (342)
WAY-302596

>  <CNC_ID> (342)
359383582

>  <transfer_container_id> (342)
PTN000000071

>  <COMPOUND_NUMBER> (342)
WAY-302596

>  <BAR_CODE_NO> (342)
3905277

>  <LOCATION_CODE> (342)
PTNCS

>  <AMOUNT_CURRENT> (342)
33.1

$$$$
WAY-302603
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.9448    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -0.2760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.9378    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -1.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621   -0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -0.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4586    1.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    0.2206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1586    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207    0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379   -0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -1.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   -1.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0276   -0.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793   -0.3139    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  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
 11 14  1  0  0  0  0
 12 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
 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
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 16 17  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C20H13FN2O2S

>  <MolWeight> (343)
364.3928232

>  <PCAT_CMPD_ID> (343)
WAY-302603

>  <CNC_ID> (343)
359383589

>  <transfer_container_id> (343)
PTN000000071

>  <COMPOUND_NUMBER> (343)
WAY-302603

>  <BAR_CODE_NO> (343)
3905287

>  <LOCATION_CODE> (343)
PTNCS

>  <AMOUNT_CURRENT> (343)
33.5

$$$$
WAY-302609
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.7180    0.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -0.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3639   -0.6059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7028   -0.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528    0.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3847    0.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389    0.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0153   -0.0975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389    1.3816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972   -0.5850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -0.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0764   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0764    0.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0361    1.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3820   -1.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389   -0.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611    1.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0611   -0.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3847    1.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403   -1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8055   -0.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028   -1.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611   -1.6059    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  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  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  3  0  0  0  0
 11  2  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19  3  1  0  0  0  0
 20  7  1  0  0  0  0
 21  5  1  0  0  0  0
 22 13  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  2  0  0  0  0
  4 13  2  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C17H16N4O2S

>  <MolWeight> (344)
340.39954

>  <PCAT_CMPD_ID> (344)
WAY-302609

>  <CNC_ID> (344)
359383595

>  <transfer_container_id> (344)
PTN000000071

>  <COMPOUND_NUMBER> (344)
WAY-302609

>  <BAR_CODE_NO> (344)
3905293

>  <LOCATION_CODE> (344)
PTNCS

>  <AMOUNT_CURRENT> (344)
33

$$$$
WAY-302610
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.2897    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    1.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -0.1621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552   -0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897   -0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621   -0.0138    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  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
 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  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
 16 18  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C17H16N4S

>  <MolWeight> (345)
308.40074

>  <PCAT_CMPD_ID> (345)
WAY-302610

>  <CNC_ID> (345)
359383596

>  <transfer_container_id> (345)
PTN000000071

>  <COMPOUND_NUMBER> (345)
WAY-302610

>  <BAR_CODE_NO> (345)
3905294

>  <LOCATION_CODE> (345)
PTNCS

>  <AMOUNT_CURRENT> (345)
33.4

$$$$
WAY-302611
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.0897   -0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.2690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7138    0.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138    1.2966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966    0.9724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.1276    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    2.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -2.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759   -2.9862    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  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  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
 18 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
 23 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
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C19H17F3N2O4

>  <MolWeight> (346)
394.3444896

>  <PCAT_CMPD_ID> (346)
WAY-302611

>  <CNC_ID> (346)
359383597

>  <transfer_container_id> (346)
PTN000000071

>  <COMPOUND_NUMBER> (346)
WAY-302611

>  <BAR_CODE_NO> (346)
3905295

>  <LOCATION_CODE> (346)
PTNCS

>  <AMOUNT_CURRENT> (346)
33

$$$$
WAY-302614
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.5586    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862    1.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    1.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.0276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7379    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0172    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -0.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034   -0.7517    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3828   -0.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138   -1.5931    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  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  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
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C19H25N5O3S

>  <MolWeight> (347)
403.4985

>  <PCAT_CMPD_ID> (347)
WAY-302614

>  <CNC_ID> (347)
359383600

>  <transfer_container_id> (347)
PTN000000071

>  <COMPOUND_NUMBER> (347)
WAY-302614

>  <BAR_CODE_NO> (347)
3905299

>  <LOCATION_CODE> (347)
PTNCS

>  <AMOUNT_CURRENT> (347)
33.2

$$$$
WAY-302615
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.4793    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    1.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.0276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6897    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.4310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.9379    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517   -0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7621   -0.9897    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4621   -0.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.8276    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  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
 14 17  1  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  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
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C19H25N5O3S

>  <MolWeight> (348)
403.4985

>  <PCAT_CMPD_ID> (348)
WAY-302615

>  <CNC_ID> (348)
359383601

>  <transfer_container_id> (348)
PTN000000071

>  <COMPOUND_NUMBER> (348)
WAY-302615

>  <BAR_CODE_NO> (348)
3905300

>  <LOCATION_CODE> (348)
PTNCS

>  <AMOUNT_CURRENT> (348)
33.5

$$$$
WAY-302621
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3138    0.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    0.5931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    2.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    2.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5448   -2.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -3.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.5138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0552    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138    2.7034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0552   -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  1  0  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
 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
 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
  6  9  1  0  0  0  0
 13 15  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C16H13ClFN3S

>  <MolWeight> (349)
333.8109232

>  <PCAT_CMPD_ID> (349)
WAY-302621

>  <CNC_ID> (349)
359383607

>  <transfer_container_id> (349)
PTN000000071

>  <COMPOUND_NUMBER> (349)
WAY-302621

>  <BAR_CODE_NO> (349)
3905306

>  <LOCATION_CODE> (349)
PTNCS

>  <AMOUNT_CURRENT> (349)
33.3

$$$$
WAY-302641
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2552    0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    1.2621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586    1.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    0.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    1.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    2.9241    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6207   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345   -2.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -3.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -3.3690    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  1  0  0  0  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  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
 18 21  2  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
 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
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 12 17  1  0  0  0  0
 19 21  1  0  0  0  0
 26 27  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C21H23BrN2O5S

>  <MolWeight> (350)
495.38672

>  <PCAT_CMPD_ID> (350)
WAY-302641

>  <CNC_ID> (350)
359383627

>  <transfer_container_id> (350)
PTN000000071

>  <COMPOUND_NUMBER> (350)
WAY-302641

>  <BAR_CODE_NO> (350)
3905327

>  <LOCATION_CODE> (350)
PTNCS

>  <AMOUNT_CURRENT> (350)
33.5

$$$$
WAY-302650
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.8099    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8099    1.3488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581    0.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0315   -0.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0315    1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581    1.6385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857    0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0823   -0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867    1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0315    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4443   -1.6132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0306   -1.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7281   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9443    2.8005    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0177    2.8005    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0315    3.7764    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788   -1.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7281   -1.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1591   -2.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -3.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4177   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694   -1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1892   -3.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4177   -1.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
  6  7  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> (351)
351

>  <Formula> (351)
C18H15F3N4O2

>  <MolWeight> (351)
376.3325096

>  <PCAT_CMPD_ID> (351)
WAY-302650

>  <CNC_ID> (351)
359383636

>  <transfer_container_id> (351)
PTN000000071

>  <COMPOUND_NUMBER> (351)
WAY-302650

>  <BAR_CODE_NO> (351)
3905336

>  <LOCATION_CODE> (351)
PTNCS

>  <AMOUNT_CURRENT> (351)
33.3

$$$$
WAY-302664
csChFnd80/11182011152D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.3448   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    1.0793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3172   -2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -0.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552   -1.2207    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448   -0.4207    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  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  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
 13 19  1  0  0  0  0
 14 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
 18 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 15 20  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C17H14Br2N2O5

>  <MolWeight> (352)
486.11146

>  <PCAT_CMPD_ID> (352)
WAY-302664

>  <CNC_ID> (352)
359383650

>  <transfer_container_id> (352)
PTN000000071

>  <COMPOUND_NUMBER> (352)
WAY-302664

>  <BAR_CODE_NO> (352)
3905353

>  <LOCATION_CODE> (352)
PTNCS

>  <AMOUNT_CURRENT> (352)
33.2

$$$$
WAY-302674
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3483   -0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    0.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -1.7897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -1.8414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1828    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966    1.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897   -0.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3793    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  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
 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
 17 20  1  0  0  0  0
 18 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> (353)
353

>  <Formula> (353)
C15H11NO3S2

>  <MolWeight> (353)
317.38274

>  <PCAT_CMPD_ID> (353)
WAY-302674

>  <CNC_ID> (353)
359383660

>  <transfer_container_id> (353)
PTN000000071

>  <COMPOUND_NUMBER> (353)
WAY-302674

>  <BAR_CODE_NO> (353)
3905367

>  <LOCATION_CODE> (353)
PTNCS

>  <AMOUNT_CURRENT> (353)
33.5

$$$$
WAY-302706
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.5623   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450   -1.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071   -1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0968   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588   -1.7378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830   -2.5344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5761   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3347   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1002   -0.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071    0.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274   -0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726   -2.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860    0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170   -0.8965    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2968   -2.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757    0.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243    1.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170   -0.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653    1.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377    2.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    2.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929    0.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929   -0.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998    3.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3929    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757    3.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 24 27  1  0  0  0  0
 26 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> (354)
354

>  <Formula> (354)
C20H20N2O4S2

>  <MolWeight> (354)
416.5138

>  <PCAT_CMPD_ID> (354)
WAY-302706

>  <CNC_ID> (354)
359383692

>  <transfer_container_id> (354)
PTN000000071

>  <COMPOUND_NUMBER> (354)
WAY-302706

>  <BAR_CODE_NO> (354)
3905414

>  <LOCATION_CODE> (354)
PTNCS

>  <AMOUNT_CURRENT> (354)
33

$$$$
WAY-302708
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2138    0.2517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6276    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -0.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -2.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517   -2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862    2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -3.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -3.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -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  1  0  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
  7 13  2  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
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 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
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 25 28  1  0  0  0  0
 12 17  2  0  0  0  0
 14 19  2  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C24H26N2O2

>  <MolWeight> (355)
374.47544

>  <PCAT_CMPD_ID> (355)
WAY-302708

>  <CNC_ID> (355)
359383694

>  <transfer_container_id> (355)
PTN000000071

>  <COMPOUND_NUMBER> (355)
WAY-302708

>  <BAR_CODE_NO> (355)
3905416

>  <LOCATION_CODE> (355)
PTNCS

>  <AMOUNT_CURRENT> (355)
33.1

$$$$
WAY-302732
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.9833    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212    0.7860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8074    2.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2626    1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350    2.5101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453    3.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8453    1.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    1.4343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1926   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1971    3.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6695    2.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3512   -1.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3547   -2.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2029   -1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374   -3.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3788   -2.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -3.3864    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
  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
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 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> (356)
356

>  <Formula> (356)
C16H15ClN2O2

>  <MolWeight> (356)
302.7555

>  <PCAT_CMPD_ID> (356)
WAY-302732

>  <CNC_ID> (356)
359383718

>  <transfer_container_id> (356)
PTN000000071

>  <COMPOUND_NUMBER> (356)
WAY-302732

>  <BAR_CODE_NO> (356)
3905445

>  <LOCATION_CODE> (356)
PTNCS

>  <AMOUNT_CURRENT> (356)
33.2

$$$$
WAY-302734
csChFnd80/11182011152D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.2321   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351    0.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2839   -0.5965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7541   -0.6025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2839    0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761    0.2975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999    0.3005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2839    1.2035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3189   -0.5995    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
  7  3  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  6  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C5H3BrN4O

>  <MolWeight> (357)
215.00752

>  <PCAT_CMPD_ID> (357)
WAY-302734

>  <CNC_ID> (357)
359383720

>  <transfer_container_id> (357)
PTN000000071

>  <COMPOUND_NUMBER> (357)
WAY-302734

>  <BAR_CODE_NO> (357)
3905447

>  <LOCATION_CODE> (357)
PTNCS

>  <AMOUNT_CURRENT> (357)
33.5

$$$$
WAY-302735
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2517    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    0.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -0.6759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310   -0.0138    0.0000 N   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
    1.1310   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483   -1.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -0.0138    0.0000 C   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
    3.0483   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -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  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
 18 20  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> (358)
358

>  <Formula> (358)
C16H18N2OS

>  <MolWeight> (358)
286.39192

>  <PCAT_CMPD_ID> (358)
WAY-302735

>  <CNC_ID> (358)
359383721

>  <transfer_container_id> (358)
PTN000000071

>  <COMPOUND_NUMBER> (358)
WAY-302735

>  <BAR_CODE_NO> (358)
3905448

>  <LOCATION_CODE> (358)
PTNCS

>  <AMOUNT_CURRENT> (358)
33.1

$$$$
WAY-302746
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.2414   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -0.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -1.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103   -0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103    1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.0517    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  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
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C13H11NO4

>  <MolWeight> (359)
245.23074

>  <PCAT_CMPD_ID> (359)
WAY-302746

>  <CNC_ID> (359)
359383732

>  <transfer_container_id> (359)
PTN000000071

>  <COMPOUND_NUMBER> (359)
WAY-302746

>  <BAR_CODE_NO> (359)
3905463

>  <LOCATION_CODE> (359)
PTNCS

>  <AMOUNT_CURRENT> (359)
33.4

$$$$
WAY-302787
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.4274   -0.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067   -0.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653    0.4040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3170   -0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1481   -0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4481   -1.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481    0.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7860   -1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3377   -1.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964    0.4661    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4623    0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9726    0.0144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    1.3247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    0.1144    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    1.4937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933    0.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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  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> (360)
360

>  <Formula> (360)
C11H8N4O2S2

>  <MolWeight> (360)
292.33682

>  <PCAT_CMPD_ID> (360)
WAY-302787

>  <CNC_ID> (360)
359383773

>  <transfer_container_id> (360)
PTN000000071

>  <COMPOUND_NUMBER> (360)
WAY-302787

>  <BAR_CODE_NO> (360)
3905511

>  <LOCATION_CODE> (360)
PTNCS

>  <AMOUNT_CURRENT> (360)
33.2

$$$$
WAY-302823
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.7345   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -0.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    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  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
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C13H12N2O3

>  <MolWeight> (361)
244.24598

>  <PCAT_CMPD_ID> (361)
WAY-302823

>  <CNC_ID> (361)
359383809

>  <transfer_container_id> (361)
PTN000000071

>  <COMPOUND_NUMBER> (361)
WAY-302823

>  <BAR_CODE_NO> (361)
3905557

>  <LOCATION_CODE> (361)
PTNCS

>  <AMOUNT_CURRENT> (361)
33.2

$$$$
WAY-302825
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.3345   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138   -0.5276    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
   -0.6345    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -0.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    1.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241    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  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  1  0  0  0  0
 20 21  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
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C16H18N2O3

>  <MolWeight> (362)
286.32572

>  <PCAT_CMPD_ID> (362)
WAY-302825

>  <CNC_ID> (362)
359383811

>  <transfer_container_id> (362)
PTN000000071

>  <COMPOUND_NUMBER> (362)
WAY-302825

>  <BAR_CODE_NO> (362)
3905559

>  <LOCATION_CODE> (362)
PTNCS

>  <AMOUNT_CURRENT> (362)
33.1

$$$$
WAY-302856
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.1557   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281    0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8281   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1557   -1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1557   -1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1557    0.0895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1788   -0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8281   -1.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1719    0.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8443    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    1.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719    1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719    0.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8443    1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8443    1.8308    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8443    0.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788    0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C16H14ClNO

>  <MolWeight> (363)
271.74146

>  <PCAT_CMPD_ID> (363)
WAY-302856

>  <CNC_ID> (363)
359383842

>  <transfer_container_id> (363)
PTN000000071

>  <COMPOUND_NUMBER> (363)
WAY-302856

>  <BAR_CODE_NO> (363)
3905593

>  <LOCATION_CODE> (363)
PTNCS

>  <AMOUNT_CURRENT> (363)
33.4

$$$$
WAY-302859
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4241   -0.0380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    0.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -2.1242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    2.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    2.0620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276    2.0620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    3.4620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483   -2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138    0.4344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138   -1.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3069   -1.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379   -3.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1655    0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345    1.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2552   -2.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241   -3.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    1.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    2.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7379    2.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828    3.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 25 27  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
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C18H17F3N4O2

>  <MolWeight> (364)
378.3483896

>  <PCAT_CMPD_ID> (364)
WAY-302859

>  <CNC_ID> (364)
359383845

>  <transfer_container_id> (364)
PTN000000071

>  <COMPOUND_NUMBER> (364)
WAY-302859

>  <BAR_CODE_NO> (364)
3905597

>  <LOCATION_CODE> (364)
PTNCS

>  <AMOUNT_CURRENT> (364)
33.4

$$$$
WAY-302887
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3690    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    0.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379    1.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -1.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  8 13  1  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
 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
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C15H16N6O4

>  <MolWeight> (365)
344.32534

>  <PCAT_CMPD_ID> (365)
WAY-302887

>  <CNC_ID> (365)
359383873

>  <transfer_container_id> (365)
PTN000000071

>  <COMPOUND_NUMBER> (365)
WAY-302887

>  <BAR_CODE_NO> (365)
3905629

>  <LOCATION_CODE> (365)
PTNCS

>  <AMOUNT_CURRENT> (365)
33.1

$$$$
WAY-302920
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1886    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851    0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886   -0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024    0.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183   -0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666    1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851   -1.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024   -1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0300    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5093    2.4362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1976    1.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0300   -0.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9713    0.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -1.1258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1575    3.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666   -1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -2.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334    4.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5976   -2.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -2.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666   -2.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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
 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
  5  7  1  0  0  0  0
  9 13  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C17H21NO4

>  <MolWeight> (366)
303.35294

>  <PCAT_CMPD_ID> (366)
WAY-302920

>  <CNC_ID> (366)
359383906

>  <transfer_container_id> (366)
PTN000000071

>  <COMPOUND_NUMBER> (366)
WAY-302920

>  <BAR_CODE_NO> (366)
3905671

>  <LOCATION_CODE> (366)
PTNCS

>  <AMOUNT_CURRENT> (366)
33.3

$$$$
WAY-302983
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.3647    0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4974   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785   -0.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1474    0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    0.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077   -0.4314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2422   -1.2831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578   -0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1474    1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4526    1.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1560    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6802   -1.2555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0181   -1.8038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6267   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302    1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9319   -0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491    0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5474   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5233    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7491    0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664   -1.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9319    1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491    1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0267   -0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7319    0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  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
  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  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  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
 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
 10 16  1  0  0  0  0
 12 13  2  0  0  0  0
 20 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C22H27N5

>  <MolWeight> (367)
361.48328

>  <PCAT_CMPD_ID> (367)
WAY-302983

>  <CNC_ID> (367)
359383969

>  <transfer_container_id> (367)
PTN000000071

>  <COMPOUND_NUMBER> (367)
WAY-302983

>  <BAR_CODE_NO> (367)
3905756

>  <LOCATION_CODE> (367)
PTNCS

>  <AMOUNT_CURRENT> (367)
33.2

$$$$
WAY-303055
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.3690   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -2.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -1.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    1.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    1.6586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034    3.2828    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
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 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  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
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C11H8N4O2S

>  <MolWeight> (368)
260.27182

>  <PCAT_CMPD_ID> (368)
WAY-303055

>  <CNC_ID> (368)
359384040

>  <transfer_container_id> (368)
PTN000000071

>  <COMPOUND_NUMBER> (368)
WAY-303055

>  <BAR_CODE_NO> (368)
3905834

>  <LOCATION_CODE> (368)
PTNCS

>  <AMOUNT_CURRENT> (368)
33.5

$$$$
WAY-303073
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.4958   -1.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1733   -0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834    0.2476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1649   -0.5404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927    0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9574   -0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565    1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5403    2.3329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3615    2.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1252   -1.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -1.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5231   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493   -0.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663   -0.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074   -1.5622    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
  1  2  1  0  0  0  0
  3  4  1  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  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
 12  6  1  0  0  0  0
  7 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 17  2  0  0  0  0
 17  7  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C14H11N3O

>  <MolWeight> (369)
237.25664

>  <PCAT_CMPD_ID> (369)
WAY-303073

>  <CNC_ID> (369)
359384058

>  <transfer_container_id> (369)
PTN000000071

>  <COMPOUND_NUMBER> (369)
WAY-303073

>  <BAR_CODE_NO> (369)
3905854

>  <LOCATION_CODE> (369)
PTNCS

>  <AMOUNT_CURRENT> (369)
33.4

$$$$
WAY-303109
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.3448    0.4414    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
   -2.3172    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    2.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2586    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1966   -1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310   -2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4207   -0.5931    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  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C14H14N2O2

>  <MolWeight> (370)
242.27316

>  <PCAT_CMPD_ID> (370)
WAY-303109

>  <CNC_ID> (370)
359384093

>  <transfer_container_id> (370)
PTN000000071

>  <COMPOUND_NUMBER> (370)
WAY-303109

>  <BAR_CODE_NO> (370)
3905896

>  <LOCATION_CODE> (370)
PTNCS

>  <AMOUNT_CURRENT> (370)
33.4

$$$$
WAY-303125
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.1881    0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329   -0.0523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1881    1.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5122   -0.0627    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5295    0.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329    1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8226    0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5088    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2122   -0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8329    2.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154    0.2856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1636   -0.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1223   -0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    0.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602   -1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843   -0.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636   -0.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -0.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4774   -1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464   -0.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
  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  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  1  0  0  0  0
  6  8  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C16H20N2O3S

>  <MolWeight> (371)
320.4066

>  <PCAT_CMPD_ID> (371)
WAY-303125

>  <CNC_ID> (371)
359384109

>  <transfer_container_id> (371)
PTN000000071

>  <COMPOUND_NUMBER> (371)
WAY-303125

>  <BAR_CODE_NO> (371)
3905915

>  <LOCATION_CODE> (371)
PTNCS

>  <AMOUNT_CURRENT> (371)
33.1

$$$$
WAY-303139
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0174    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8584   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174    1.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7657    0.2944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1347   -1.2090    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377    0.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308   -1.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8584    1.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5278   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347   -1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6205   -0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416   -0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243   -2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6205    1.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1519   -1.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860    1.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4067    1.7427    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
  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
 20 21  1  0  0  0  0
  9 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> (372)
372

>  <Formula> (372)
C16H9NO3S

>  <MolWeight> (372)
295.31256

>  <PCAT_CMPD_ID> (372)
WAY-303139

>  <CNC_ID> (372)
359384123

>  <transfer_container_id> (372)
PTN000000071

>  <COMPOUND_NUMBER> (372)
WAY-303139

>  <BAR_CODE_NO> (372)
3905934

>  <LOCATION_CODE> (372)
PTNCS

>  <AMOUNT_CURRENT> (372)
33.4

$$$$
WAY-303167
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.3586    0.6276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0207    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276    2.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586   -2.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0207   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0414   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  2  0  0  0  0
 11 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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 10  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C15H19NO3

>  <MolWeight> (373)
261.31626

>  <PCAT_CMPD_ID> (373)
WAY-303167

>  <CNC_ID> (373)
359384151

>  <transfer_container_id> (373)
PTN000000071

>  <COMPOUND_NUMBER> (373)
WAY-303167

>  <BAR_CODE_NO> (373)
3905969

>  <LOCATION_CODE> (373)
PTNCS

>  <AMOUNT_CURRENT> (373)
33.2

$$$$
WAY-303224
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1687   -0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446   -1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687    0.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3274   -0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446   -2.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140    1.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446    1.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9830   -0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3274    0.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3998   -1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067   -3.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9830    0.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3998    1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3998   -2.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554    1.1882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554    2.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1278    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2002    2.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 18 19  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> (374)
374

>  <Formula> (374)
C16H18O3

>  <MolWeight> (374)
258.31232

>  <PCAT_CMPD_ID> (374)
WAY-303224

>  <CNC_ID> (374)
359384208

>  <transfer_container_id> (374)
PTN000000071

>  <COMPOUND_NUMBER> (374)
WAY-303224

>  <BAR_CODE_NO> (374)
3906049

>  <LOCATION_CODE> (374)
PTNCS

>  <AMOUNT_CURRENT> (374)
33.4

$$$$
WAY-303234
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.2651    0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.8546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237    1.4684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6789    0.1442    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5651    1.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858    0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -0.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0487   -0.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590    0.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832    0.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6970   -0.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5211   -0.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9349    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
 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> (375)
375

>  <Formula> (375)
C12H12N2O3S

>  <MolWeight> (375)
264.30028

>  <PCAT_CMPD_ID> (375)
WAY-303234

>  <CNC_ID> (375)
359384218

>  <transfer_container_id> (375)
PTN000000071

>  <COMPOUND_NUMBER> (375)
WAY-303234

>  <BAR_CODE_NO> (375)
3906060

>  <LOCATION_CODE> (375)
PTNCS

>  <AMOUNT_CURRENT> (375)
33.1

$$$$
WAY-303259
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8517    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.8690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    1.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    0.1793    0.0000 N   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
    2.4414   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -1.0552    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
    2.7690    0.1379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483    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  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
 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
 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  1  0  0  0  0
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C16H16N4OS

>  <MolWeight> (376)
312.38944

>  <PCAT_CMPD_ID> (376)
WAY-303259

>  <CNC_ID> (376)
359384243

>  <transfer_container_id> (376)
PTN000000071

>  <COMPOUND_NUMBER> (376)
WAY-303259

>  <BAR_CODE_NO> (376)
3906089

>  <LOCATION_CODE> (376)
PTNCS

>  <AMOUNT_CURRENT> (376)
33.5

$$$$
WAY-303261
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.9791    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2619    0.1134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6895    0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722    1.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2619   -0.7107    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4101    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860    1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1623    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791   -1.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4377   -0.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4101    1.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1377    0.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    0.5272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1623   -0.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8412    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5899    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2968    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5864   -0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2899   -1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002   -0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7278    0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7140   -1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381    0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4347   -0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 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  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
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  8 13  2  0  0  0  0
 22 23  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C20H20N2O4S

>  <MolWeight> (377)
384.4488

>  <PCAT_CMPD_ID> (377)
WAY-303261

>  <CNC_ID> (377)
359384245

>  <transfer_container_id> (377)
PTN000000071

>  <COMPOUND_NUMBER> (377)
WAY-303261

>  <BAR_CODE_NO> (377)
3906091

>  <LOCATION_CODE> (377)
PTNCS

>  <AMOUNT_CURRENT> (377)
33

$$$$
WAY-303293
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7179   -0.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8317   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8800   -1.6590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386   -0.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683   -0.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8317    0.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9386   -1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3904   -0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683    1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904   -2.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4524   -0.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    0.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5593   -2.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0317   -1.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614    1.4582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1317   -3.5004    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7821    0.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821    1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821   -0.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821    2.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821    0.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821    3.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    2.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
  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> (378)
378

>  <Formula> (378)
C20H13ClN2O2

>  <MolWeight> (378)
348.78242

>  <PCAT_CMPD_ID> (378)
WAY-303293

>  <CNC_ID> (378)
359384277

>  <transfer_container_id> (378)
PTN000000071

>  <COMPOUND_NUMBER> (378)
WAY-303293

>  <BAR_CODE_NO> (378)
3906133

>  <LOCATION_CODE> (378)
PTNCS

>  <AMOUNT_CURRENT> (378)
33.4

$$$$
WAY-303324
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.3552    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    1.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -0.3207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069   -0.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    0.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -2.5690    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  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  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 15 20  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C19H14BrN3O3

>  <MolWeight> (379)
412.23676

>  <PCAT_CMPD_ID> (379)
WAY-303324

>  <CNC_ID> (379)
359384308

>  <transfer_container_id> (379)
PTN000000071

>  <COMPOUND_NUMBER> (379)
WAY-303324

>  <BAR_CODE_NO> (379)
3906176

>  <LOCATION_CODE> (379)
PTNCS

>  <AMOUNT_CURRENT> (379)
33.1

$$$$
WAY-303326
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.8931   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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
 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
 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
  8  9  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C18H20N2O4

>  <MolWeight> (380)
328.3624

>  <PCAT_CMPD_ID> (380)
WAY-303326

>  <CNC_ID> (380)
359384310

>  <transfer_container_id> (380)
PTN000000071

>  <COMPOUND_NUMBER> (380)
WAY-303326

>  <BAR_CODE_NO> (380)
3906178

>  <LOCATION_CODE> (380)
PTNCS

>  <AMOUNT_CURRENT> (380)
33.1

$$$$
WAY-391544
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.7042   -0.1500    0.0000 N   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
    2.4167   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958   -0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    3.1500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -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  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  2  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 19  2  0  0  0  0
 13  3  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  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
 21 24  1  0  0  0  0
 22 17  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  2  0  0  0  0
 25  9  1  0  0  0  0
 26 28  2  0  0  0  0
 27 11  1  0  0  0  0
 28 19  1  0  0  0  0
 29 21  1  0  0  0  0
 30  5  1  0  0  0  0
 31  7  1  0  0  0  0
 32 30  2  0  0  0  0
 33 32  1  0  0  0  0
  4  7  1  0  0  0  0
 11 21  2  0  0  0  0
 31 33  2  0  0  0  0
 10 15  2  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C23H15ClFN3O4S

>  <MolWeight> (381)
483.8993032

>  <PCAT_CMPD_ID> (381)
WAY-391544

>  <CNC_ID> (381)
359386865

>  <transfer_container_id> (381)
PTN000000071

>  <COMPOUND_NUMBER> (381)
WAY-391544

>  <BAR_CODE_NO> (381)
2543527

>  <LOCATION_CODE> (381)
PTNCS

>  <AMOUNT_CURRENT> (381)
32.7

$$$$
WAY-391668
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0833   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -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  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  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
  9  7  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C9H8N2OS2

>  <MolWeight> (382)
224.30262

>  <PCAT_CMPD_ID> (382)
WAY-391668

>  <CNC_ID> (382)
359386985

>  <transfer_container_id> (382)
PTN000000071

>  <COMPOUND_NUMBER> (382)
WAY-391668

>  <BAR_CODE_NO> (382)
2542790

>  <LOCATION_CODE> (382)
PTNCS

>  <AMOUNT_CURRENT> (382)
29

$$$$
WAY-391686
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0102   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3378   -0.6586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6413    0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5516    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0896   -1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622   -3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9516   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6240    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8587   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484   -2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2620    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9033    2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8587    0.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1484   -1.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2620    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380    0.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380    3.1414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1622    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    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  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  1  0  0  0  0
  9 13  1  0  0  0  0
 15 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C15H17N3O3S2

>  <MolWeight> (383)
351.44378

>  <PCAT_CMPD_ID> (383)
WAY-391686

>  <CNC_ID> (383)
359387002

>  <transfer_container_id> (383)
PTN000000071

>  <COMPOUND_NUMBER> (383)
WAY-391686

>  <BAR_CODE_NO> (383)
2543114

>  <LOCATION_CODE> (383)
PTNCS

>  <AMOUNT_CURRENT> (383)
29.3

$$$$
WAY-391691
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3686   -0.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1996   -0.7385    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0314   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590   -1.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0203   -0.7592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2030    0.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858   -1.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8556    0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797   -1.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410   -2.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4203   -1.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    0.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444   -1.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2651   -0.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0797    0.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314    1.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6686   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4797    1.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1349    2.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3004    1.5615    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176    2.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4556    2.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  1  0  0  0  0
  9 14  1  0  0  0  0
 16 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C16H19N3O3S2

>  <MolWeight> (384)
365.47036

>  <PCAT_CMPD_ID> (384)
WAY-391691

>  <CNC_ID> (384)
359387007

>  <transfer_container_id> (384)
PTN000000071

>  <COMPOUND_NUMBER> (384)
WAY-391691

>  <BAR_CODE_NO> (384)
2543117

>  <LOCATION_CODE> (384)
PTNCS

>  <AMOUNT_CURRENT> (384)
29.7

$$$$
WAY-391736
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.0417   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -2.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -4.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750   -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  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  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 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  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 16  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 18  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
  7  4  1  0  0  0  0
  8 10  2  0  0  0  0
 23 22  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C21H17NO3S

>  <MolWeight> (385)
363.42958

>  <PCAT_CMPD_ID> (385)
WAY-391736

>  <CNC_ID> (385)
359387047

>  <transfer_container_id> (385)
PTN000000071

>  <COMPOUND_NUMBER> (385)
WAY-391736

>  <BAR_CODE_NO> (385)
2542843

>  <LOCATION_CODE> (385)
PTNCS

>  <AMOUNT_CURRENT> (385)
32.8

$$$$
WAY-391805
csChFnd80/11182011152D

 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
   -2.5625    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
    2.7167   -1.9792    0.0000 C   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
    3.1292   -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  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 15  1  0  0  0  0
 13 16  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 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 17  1  0  0  0  0
  5  4  1  0  0  0  0
 13 12  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C17H18N2O3

>  <MolWeight> (386)
298.33642

>  <PCAT_CMPD_ID> (386)
WAY-391805

>  <CNC_ID> (386)
359387113

>  <transfer_container_id> (386)
PTN000000071

>  <COMPOUND_NUMBER> (386)
WAY-391805

>  <BAR_CODE_NO> (386)
2544518

>  <LOCATION_CODE> (386)
PTNCS

>  <AMOUNT_CURRENT> (386)
32.7

$$$$
WAY-391810
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6083    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8750    1.3458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2167    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.6375    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  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  2  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  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  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 15  2  0  0  0  0
 22 10  1  0  0  0  0
 23 18  1  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
M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C18H20N2O3

>  <MolWeight> (387)
312.363

>  <PCAT_CMPD_ID> (387)
WAY-391810

>  <CNC_ID> (387)
359387117

>  <transfer_container_id> (387)
PTN000000071

>  <COMPOUND_NUMBER> (387)
WAY-391810

>  <BAR_CODE_NO> (387)
2544517

>  <LOCATION_CODE> (387)
PTNCS

>  <AMOUNT_CURRENT> (387)
32.6

$$$$
WAY-232366
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.1403    6.2751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403    7.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455    5.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8033    8.1245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455    8.3946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505    6.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8033    5.8597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455    4.1973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505    7.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7902    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505    2.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505    3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024    2.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024    3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7972    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7902    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8389    8.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076    1.3577    0.0000 C   0  0  0  0  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  3  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 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  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 10  1  0  0  0  0
 19 14  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C13H12ClN5

>  <MolWeight> (388)
273.72088

>  <PCAT_CMPD_ID> (388)
WAY-232366

>  <CNC_ID> (388)
359394400

>  <transfer_container_id> (388)
PTN000000072

>  <COMPOUND_NUMBER> (388)
WAY-232366

>  <BAR_CODE_NO> (388)
3907772

>  <LOCATION_CODE> (388)
PTNCS

>  <AMOUNT_CURRENT> (388)
33.5

$$$$
WAY-233279
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.7399   -0.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8641   -1.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3635   -1.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877    0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882    0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882   -2.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3635   -2.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7744    1.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946    1.5934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5739   -0.3548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704   -2.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0089    1.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7675   -3.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7744    2.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5911    0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704   -1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0089    2.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710    3.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7118    1.6210    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  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  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
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
  8 11  1  0  0  0  0
 10 16  1  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C18H20N2OS

>  <MolWeight> (389)
312.4292

>  <PCAT_CMPD_ID> (389)
WAY-233279

>  <CNC_ID> (389)
359394405

>  <transfer_container_id> (389)
PTN000000072

>  <COMPOUND_NUMBER> (389)
WAY-233279

>  <BAR_CODE_NO> (389)
3908652

>  <LOCATION_CODE> (389)
PTNCS

>  <AMOUNT_CURRENT> (389)
33.1

$$$$
WAY-233805
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.6480   -9.4925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3995   -9.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350   -7.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0490   -6.2575    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5620   -7.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7370   -4.0470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1965  -11.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120  -11.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0460   -6.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5845  -13.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3950  -10.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3490   -3.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1335  -14.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9440  -12.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3315  -14.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8430  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100   -4.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6485   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7095   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1460   -3.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4835   -1.4990    0.0000 C   0  0  0  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  3  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  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
 21 19  1  0  0  0  0
  4  5  1  0  0  0  0
 13 15  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C17H22N2O2

>  <MolWeight> (390)
286.36878

>  <PCAT_CMPD_ID> (390)
WAY-233805

>  <CNC_ID> (390)
359394414

>  <transfer_container_id> (390)
PTN000000072

>  <COMPOUND_NUMBER> (390)
WAY-233805

>  <BAR_CODE_NO> (390)
3907746

>  <LOCATION_CODE> (390)
PTNCS

>  <AMOUNT_CURRENT> (390)
33.4

$$$$
WAY-236285-A
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.9655    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    2.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    2.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    1.9003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448    0.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966    2.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    0.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    2.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966   -0.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4069    1.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517   -0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897    1.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4069    0.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    0.4831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103   -0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4724   -1.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6931    0.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -2.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8241   -2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345   -4.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8690   -3.9825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5931   -4.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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
 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  1  0  0  0  0
 21 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
 17 19  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C20H25N3O4

>  <MolWeight> (391)
371.4302

>  <PCAT_CMPD_ID> (391)
WAY-236285-A

>  <CNC_ID> (391)
359394434

>  <transfer_container_id> (391)
PTN000000072

>  <COMPOUND_NUMBER> (391)
WAY-236285-A

>  <BAR_CODE_NO> (391)
3907554

>  <LOCATION_CODE> (391)
PTNCS

>  <AMOUNT_CURRENT> (391)
33.1

$$$$
WAY-241284
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.7050   -0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156    0.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5637    0.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2499   -1.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156   -1.0287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087    1.2851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9878    0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    2.3575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913   -1.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881   -0.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7984    1.0196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568   -0.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1605   -1.0908    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 10 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C8H6ClN3S

>  <MolWeight> (392)
211.67134

>  <PCAT_CMPD_ID> (392)
WAY-241284

>  <CNC_ID> (392)
359394496

>  <transfer_container_id> (392)
PTN000000072

>  <COMPOUND_NUMBER> (392)
WAY-241284

>  <BAR_CODE_NO> (392)
3906520

>  <LOCATION_CODE> (392)
PTNCS

>  <AMOUNT_CURRENT> (392)
33.8

$$$$
WAY-243135-A
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.0453   -1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7488   -1.6966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3108   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0695   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315   -2.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -2.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0971   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3685   -0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9005   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0892   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9995   -0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7547    0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512    1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409    2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4547    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512    3.3517    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  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
 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
  9 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C15H22N2O4S

>  <MolWeight> (393)
326.41118

>  <PCAT_CMPD_ID> (393)
WAY-243135-A

>  <CNC_ID> (393)
359394502

>  <transfer_container_id> (393)
PTN000000072

>  <COMPOUND_NUMBER> (393)
WAY-243135-A

>  <BAR_CODE_NO> (393)
3908021

>  <LOCATION_CODE> (393)
PTNCS

>  <AMOUNT_CURRENT> (393)
33.1

$$$$
WAY-303364
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.2084   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -1.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5778    0.4411    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0049    0.4411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330   -1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601   -1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744    1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    1.3721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330   -2.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601   -2.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    2.1687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -3.0796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537    3.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0295    3.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C9H10N4S

>  <MolWeight> (394)
206.2675

>  <PCAT_CMPD_ID> (394)
WAY-303364

>  <CNC_ID> (394)
359394544

>  <transfer_container_id> (394)
PTN000000072

>  <COMPOUND_NUMBER> (394)
WAY-303364

>  <BAR_CODE_NO> (394)
3906223

>  <LOCATION_CODE> (394)
PTNCS

>  <AMOUNT_CURRENT> (394)
33.3

$$$$
WAY-303365
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.5586    0.3483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8448   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793   -0.0621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    1.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    2.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069   -0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -1.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448   -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  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  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
 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  1  0  0  0  0
 19 21  2  0  0  0  0
  8 10  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C13H14N4O3S

>  <MolWeight> (395)
306.34026

>  <PCAT_CMPD_ID> (395)
WAY-303365

>  <CNC_ID> (395)
359394545

>  <transfer_container_id> (395)
PTN000000072

>  <COMPOUND_NUMBER> (395)
WAY-303365

>  <BAR_CODE_NO> (395)
3906224

>  <LOCATION_CODE> (395)
PTNCS

>  <AMOUNT_CURRENT> (395)
33.5

$$$$
WAY-303385
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.5451    0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0641    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5421   -0.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0201    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0201   -0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5429    0.7349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011    0.7349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239   -0.1681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619   -0.1681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5809    0.7349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0269    0.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6789   -0.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059   -0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6789    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981   -0.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981   -1.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839   -0.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839   -1.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0641   -0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5831   -0.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1021   -0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6211   -0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  5  4  2  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
 15 16  2  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
  6  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 16 12  1  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
 17 16  1  0  0  0  0
  5 18  1  0  0  0  0
 18 10  2  0  0  0  0
 18 19  1  0  0  0  0
 11 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 15  1  0  0  0  0
 22  2  1  0  0  0  0
 22  3  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C18H19N5O2

>  <MolWeight> (396)
337.37576

>  <PCAT_CMPD_ID> (396)
WAY-303385

>  <CNC_ID> (396)
359394565

>  <transfer_container_id> (396)
PTN000000072

>  <COMPOUND_NUMBER> (396)
WAY-303385

>  <BAR_CODE_NO> (396)
3906244

>  <LOCATION_CODE> (396)
PTNCS

>  <AMOUNT_CURRENT> (396)
33.4

$$$$
WAY-303392
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5759    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931    0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.4345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1931    1.1172    0.0000 C   0  0  0  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
   -1.3379    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.2172    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
    0.2000   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.1345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -1.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -0.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 12  1  0  0  0  0
  9 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C19H20FNO3

>  <MolWeight> (397)
329.3654032

>  <PCAT_CMPD_ID> (397)
WAY-303392

>  <CNC_ID> (397)
359394572

>  <transfer_container_id> (397)
PTN000000072

>  <COMPOUND_NUMBER> (397)
WAY-303392

>  <BAR_CODE_NO> (397)
3906251

>  <LOCATION_CODE> (397)
PTNCS

>  <AMOUNT_CURRENT> (397)
33.3

$$$$
WAY-303396
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1548    0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1548    0.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077    0.0115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785    0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    0.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132    0.0115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    0.0115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785    0.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5923    1.5907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077   -0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215    0.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785   -0.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -0.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0632    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5548    0.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785   -1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868   -1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077   -1.5593    0.0000 C   0  0  0  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  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  5  2  0  0  0  0
 11  4  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 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  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
  6  4  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C14H17N5O

>  <MolWeight> (398)
271.31768

>  <PCAT_CMPD_ID> (398)
WAY-303396

>  <CNC_ID> (398)
359394576

>  <transfer_container_id> (398)
PTN000000072

>  <COMPOUND_NUMBER> (398)
WAY-303396

>  <BAR_CODE_NO> (398)
3906255

>  <LOCATION_CODE> (398)
PTNCS

>  <AMOUNT_CURRENT> (398)
33.2

$$$$
WAY-303414
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.1759   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -0.4655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -0.3862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -0.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931   -0.5552    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
  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
 14 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
 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
  7 12  2  0  0  0  0
 14 17  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C18H22N4OS2

>  <MolWeight> (399)
374.52348

>  <PCAT_CMPD_ID> (399)
WAY-303414

>  <CNC_ID> (399)
359394594

>  <transfer_container_id> (399)
PTN000000072

>  <COMPOUND_NUMBER> (399)
WAY-303414

>  <BAR_CODE_NO> (399)
3906274

>  <LOCATION_CODE> (399)
PTNCS

>  <AMOUNT_CURRENT> (399)
33.8

$$$$
WAY-303428
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.6248    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268    2.8235    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6248    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268    0.0233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    2.1080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268    4.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6248    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6248    6.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268    7.0004    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
    2.4268    8.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    4.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    6.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    2.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403    9.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    7.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6248   10.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0904    0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    8.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381   11.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   11.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   12.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381   12.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403   13.3008    0.0000 C   0  0  0  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 16  1  0  0  0  0
 12  4  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  2  0  0  0  0
 17  7  1  0  0  0  0
 18 13  1  0  0  0  0
 19  3  1  0  0  0  0
 20 10  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 21  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 26  2  0  0  0  0
  4  6  1  0  0  0  0
 11 10  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C21H22N2O5

>  <MolWeight> (400)
382.40978

>  <PCAT_CMPD_ID> (400)
WAY-303428

>  <CNC_ID> (400)
359394608

>  <transfer_container_id> (400)
PTN000000072

>  <COMPOUND_NUMBER> (400)
WAY-303428

>  <BAR_CODE_NO> (400)
3906293

>  <LOCATION_CODE> (400)
PTNCS

>  <AMOUNT_CURRENT> (400)
33.3

$$$$
WAY-303464
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.3169   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169   -0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066    0.1619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486    0.3964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066   -1.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486   -1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894   -0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624    1.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3549   -1.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072   -1.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589   -2.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9313    1.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928    1.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -1.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273   -1.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273    0.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6865    1.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    2.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313   -1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2451    1.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313    2.7101    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  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
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C15H15NO5S

>  <MolWeight> (401)
321.3483

>  <PCAT_CMPD_ID> (401)
WAY-303464

>  <CNC_ID> (401)
359394644

>  <transfer_container_id> (401)
PTN000000072

>  <COMPOUND_NUMBER> (401)
WAY-303464

>  <BAR_CODE_NO> (401)
3906345

>  <LOCATION_CODE> (401)
PTNCS

>  <AMOUNT_CURRENT> (401)
33.2

$$$$
WAY-303465
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0345    0.4310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5621    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -3.1103    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  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
  7 13  2  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
 13 19  1  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
 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
 12 17  2  0  0  0  0
 14 19  2  0  0  0  0
 22 25  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C26H24N2O2

>  <MolWeight> (402)
396.48096

>  <PCAT_CMPD_ID> (402)
WAY-303465

>  <CNC_ID> (402)
359394645

>  <transfer_container_id> (402)
PTN000000072

>  <COMPOUND_NUMBER> (402)
WAY-303465

>  <BAR_CODE_NO> (402)
3906346

>  <LOCATION_CODE> (402)
PTNCS

>  <AMOUNT_CURRENT> (402)
33.6

$$$$
WAY-303476
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.7034    0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -0.3690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8379    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5586    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5517    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9759    0.4862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7138   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  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
 11 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
 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
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 12 15  2  0  0  0  0
 18 20  2  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C23H23FN2O3S

>  <MolWeight> (403)
426.5037232

>  <PCAT_CMPD_ID> (403)
WAY-303476

>  <CNC_ID> (403)
359394656

>  <transfer_container_id> (403)
PTN000000072

>  <COMPOUND_NUMBER> (403)
WAY-303476

>  <BAR_CODE_NO> (403)
3906358

>  <LOCATION_CODE> (403)
PTNCS

>  <AMOUNT_CURRENT> (403)
33.3

$$$$
WAY-303506-A
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.5034    2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    3.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    2.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    3.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    0.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    3.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    3.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    4.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    3.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    4.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    0.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -2.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -2.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -3.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -4.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -4.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -4.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -5.2655    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
  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
  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
 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  1  0  0  0  0
 21 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
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
  7  9  2  0  0  0  0
 17 19  1  0  0  0  0
 26 27  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C27H30N2O4

>  <MolWeight> (404)
446.5381

>  <PCAT_CMPD_ID> (404)
WAY-303506-A

>  <CNC_ID> (404)
359394686

>  <transfer_container_id> (404)
PTN000000072

>  <COMPOUND_NUMBER> (404)
WAY-303506-A

>  <BAR_CODE_NO> (404)
3906391

>  <LOCATION_CODE> (404)
PTNCS

>  <AMOUNT_CURRENT> (404)
33.8

$$$$
WAY-303509-A
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.4308   -1.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7481   -1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791   -1.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964   -0.3691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2791   -0.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7481   -2.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -2.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0519   -0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308    0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4308   -3.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0964   -3.0449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7519   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692   -2.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    0.4861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312    0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519    1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588    2.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1071    2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7519    2.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036    2.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312    3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312    4.0344    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  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
 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
 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
  8 11  1  0  0  0  0
 14 16  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C19H21FN2O2

>  <MolWeight> (405)
328.3806432

>  <PCAT_CMPD_ID> (405)
WAY-303509-A

>  <CNC_ID> (405)
359394689

>  <transfer_container_id> (405)
PTN000000072

>  <COMPOUND_NUMBER> (405)
WAY-303509-A

>  <BAR_CODE_NO> (405)
3906394

>  <LOCATION_CODE> (405)
PTNCS

>  <AMOUNT_CURRENT> (405)
33.3

$$$$
WAY-303536-A
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.7521   -1.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3003   -0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7072   -1.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141   -2.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2762   -1.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0038    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383   -0.9850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3452   -2.1919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0003   -0.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7279    0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934   -0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997   -1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7072    0.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0245    0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135    0.7357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6031    1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6479    1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2376    2.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0755    0.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2617    2.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0997    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    1.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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  8  1  0  0  0  0
 10 13  1  0  0  0  0
 15 16  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C20H23N3

>  <MolWeight> (406)
305.41672

>  <PCAT_CMPD_ID> (406)
WAY-303536-A

>  <CNC_ID> (406)
359394716

>  <transfer_container_id> (406)
PTN000000072

>  <COMPOUND_NUMBER> (406)
WAY-303536-A

>  <BAR_CODE_NO> (406)
3906421

>  <LOCATION_CODE> (406)
PTNCS

>  <AMOUNT_CURRENT> (406)
33.1

$$$$
WAY-303558
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2649   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3753    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1753    0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4925   -1.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3753    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2925    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -1.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351    1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1339   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3558   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5649   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1649   -2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3558    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2661    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2661    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2075   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2075    1.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1178    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  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  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  9  2  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C19H16N2O3

>  <MolWeight> (407)
320.34194

>  <PCAT_CMPD_ID> (407)
WAY-303558

>  <CNC_ID> (407)
359394738

>  <transfer_container_id> (407)
PTN000000072

>  <COMPOUND_NUMBER> (407)
WAY-303558

>  <BAR_CODE_NO> (407)
3906448

>  <LOCATION_CODE> (407)
PTNCS

>  <AMOUNT_CURRENT> (407)
33.4

$$$$
WAY-303580
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.3556   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694   -0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -1.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    0.7622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8556   -0.4378    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272   -0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -1.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280   -1.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0556    0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4349    0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272   -1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789   -0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935    1.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789   -1.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    1.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039    2.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -1.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5521    3.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3479   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866    3.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0272   -1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0168   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7892   -1.6136    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
  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
 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
 19 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
 24 26  2  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 16 19  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C20H13NO4S

>  <MolWeight> (408)
363.38652

>  <PCAT_CMPD_ID> (408)
WAY-303580

>  <CNC_ID> (408)
359394760

>  <transfer_container_id> (408)
PTN000000072

>  <COMPOUND_NUMBER> (408)
WAY-303580

>  <BAR_CODE_NO> (408)
3906475

>  <LOCATION_CODE> (408)
PTNCS

>  <AMOUNT_CURRENT> (408)
33.6

$$$$
WAY-303590
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3448   -0.6345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3793   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448   -2.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448   -3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    2.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    3.0655    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  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
 11 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
 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
  9 10  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C18H22N2O5

>  <MolWeight> (409)
346.37768

>  <PCAT_CMPD_ID> (409)
WAY-303590

>  <CNC_ID> (409)
359394770

>  <transfer_container_id> (409)
PTN000000072

>  <COMPOUND_NUMBER> (409)
WAY-303590

>  <BAR_CODE_NO> (409)
3906490

>  <LOCATION_CODE> (409)
PTNCS

>  <AMOUNT_CURRENT> (409)
33.2

$$$$
WAY-303593-A
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -1.2310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -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  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  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C12H24N2O2S

>  <MolWeight> (410)
260.39616

>  <PCAT_CMPD_ID> (410)
WAY-303593-A

>  <CNC_ID> (410)
359394773

>  <transfer_container_id> (410)
PTN000000072

>  <COMPOUND_NUMBER> (410)
WAY-303593-A

>  <BAR_CODE_NO> (410)
3906494

>  <LOCATION_CODE> (410)
PTNCS

>  <AMOUNT_CURRENT> (410)
33.3

$$$$
WAY-303599
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.3319   -0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3112    0.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284   -1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3629   -0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8871    1.4154    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5647    0.1602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147   -1.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1112   -2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    2.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3302    0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0233   -2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905    1.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    0.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440    2.0016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647   -3.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060   -0.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3474    1.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7991   -0.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2060    0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3853   -1.3777    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
  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
 16 19  1  0  0  0  0
 16 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
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C16H16BrNO4S

>  <MolWeight> (411)
398.27154

>  <PCAT_CMPD_ID> (411)
WAY-303599

>  <CNC_ID> (411)
359394779

>  <transfer_container_id> (411)
PTN000000072

>  <COMPOUND_NUMBER> (411)
WAY-303599

>  <BAR_CODE_NO> (411)
3906504

>  <LOCATION_CODE> (411)
PTNCS

>  <AMOUNT_CURRENT> (411)
33.4

$$$$
WAY-303602
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.4004    0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    0.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6349    1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0762    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6349   -0.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0762   -0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935    0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7831    0.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7831    0.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4073    0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    1.1718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969   -0.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004    1.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1962    0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1962    1.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031    0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031    1.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031   -0.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031    1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996   -0.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5996   -0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5996    0.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -0.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996   -1.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -1.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7927   -0.2110    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5996   -2.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -2.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8031   -2.9558    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
  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  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
 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
 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
  5  7  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> (412)
412

>  <Formula> (412)
C22H14Cl2N2O3

>  <MolWeight> (412)
425.26416

>  <PCAT_CMPD_ID> (412)
WAY-303602

>  <CNC_ID> (412)
359394782

>  <transfer_container_id> (412)
PTN000000072

>  <COMPOUND_NUMBER> (412)
WAY-303602

>  <BAR_CODE_NO> (412)
3906509

>  <LOCATION_CODE> (412)
PTNCS

>  <AMOUNT_CURRENT> (412)
33.2

$$$$
WAY-303607
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0552   -0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -2.1586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4655   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5552    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -0.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    3.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034    3.5138    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  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
  9 13  1  0  0  0  0
 10 14  2  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  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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C19H17ClN4O2

>  <MolWeight> (413)
368.81688

>  <PCAT_CMPD_ID> (413)
WAY-303607

>  <CNC_ID> (413)
359394787

>  <transfer_container_id> (413)
PTN000000072

>  <COMPOUND_NUMBER> (413)
WAY-303607

>  <BAR_CODE_NO> (413)
3906514

>  <LOCATION_CODE> (413)
PTNCS

>  <AMOUNT_CURRENT> (413)
33.2

$$$$
WAY-303611
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.2036    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692    0.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    1.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485   -1.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1619   -0.4720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5347    1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795    3.6487    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485   -2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588   -2.9755    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895    0.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9795   -0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6757   -1.0410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7239    2.0935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2929    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6757   -3.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6619    2.0935    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> (414)
414

>  <Formula> (414)
C9H8F2N4S

>  <MolWeight> (414)
242.2484264

>  <PCAT_CMPD_ID> (414)
WAY-303611

>  <CNC_ID> (414)
359394791

>  <transfer_container_id> (414)
PTN000000072

>  <COMPOUND_NUMBER> (414)
WAY-303611

>  <BAR_CODE_NO> (414)
3906519

>  <LOCATION_CODE> (414)
PTNCS

>  <AMOUNT_CURRENT> (414)
33.5

$$$$
WAY-303613
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.2862    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    1.0207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5655   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    1.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    0.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -1.2207    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
   -1.5655    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -1.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517   -1.5586    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  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
 12 14  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C11H16N2S

>  <MolWeight> (415)
208.32314

>  <PCAT_CMPD_ID> (415)
WAY-303613

>  <CNC_ID> (415)
359394793

>  <transfer_container_id> (415)
PTN000000072

>  <COMPOUND_NUMBER> (415)
WAY-303613

>  <BAR_CODE_NO> (415)
3906523

>  <LOCATION_CODE> (415)
PTNCS

>  <AMOUNT_CURRENT> (415)
33.5

$$$$
WAY-303615-A
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0140    0.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9554    1.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791    0.8269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140   -0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0002    2.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791   -0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -0.5421    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554    2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860   -0.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8619   -1.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    2.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205   -2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8343   -1.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7174    2.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2826   -2.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0584   -1.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757   -3.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136   -2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 15 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
 10 12  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C15H12N2O3S

>  <MolWeight> (416)
300.33238

>  <PCAT_CMPD_ID> (416)
WAY-303615-A

>  <CNC_ID> (416)
359394795

>  <transfer_container_id> (416)
PTN000000072

>  <COMPOUND_NUMBER> (416)
WAY-303615-A

>  <BAR_CODE_NO> (416)
3906526

>  <LOCATION_CODE> (416)
PTNCS

>  <AMOUNT_CURRENT> (416)
33.7

$$$$
WAY-303624
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.2761   -0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2761   -2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170    1.5342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   -0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554   -0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761   -2.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343   -2.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3550    0.6514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554   -2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1519    0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688    3.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8343    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1519   -2.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4450   -0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481    3.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5343    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4450   -2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7416    0.0480    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4515    4.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C17H11BrN2O2

>  <MolWeight> (417)
355.18544

>  <PCAT_CMPD_ID> (417)
WAY-303624

>  <CNC_ID> (417)
359394804

>  <transfer_container_id> (417)
PTN000000072

>  <COMPOUND_NUMBER> (417)
WAY-303624

>  <BAR_CODE_NO> (417)
3906538

>  <LOCATION_CODE> (417)
PTNCS

>  <AMOUNT_CURRENT> (417)
33.6

$$$$
WAY-303632-A
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5138    0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -0.1197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690   -0.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690    1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276    0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -0.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276    2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -0.8990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -0.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -0.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.8714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C17H21N3O

>  <MolWeight> (418)
283.36814

>  <PCAT_CMPD_ID> (418)
WAY-303632-A

>  <CNC_ID> (418)
359394812

>  <transfer_container_id> (418)
PTN000000072

>  <COMPOUND_NUMBER> (418)
WAY-303632-A

>  <BAR_CODE_NO> (418)
3906547

>  <LOCATION_CODE> (418)
PTNCS

>  <AMOUNT_CURRENT> (418)
33.6

$$$$
WAY-303702
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1103   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -0.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1345   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -1.4483    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
    1.4103   -0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.1655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    1.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    1.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    2.1345    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  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 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
 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  8  1  0  0  0  0
 10 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C15H9ClN2O2

>  <MolWeight> (419)
284.69716

>  <PCAT_CMPD_ID> (419)
WAY-303702

>  <CNC_ID> (419)
359394882

>  <transfer_container_id> (419)
PTN000000072

>  <COMPOUND_NUMBER> (419)
WAY-303702

>  <BAR_CODE_NO> (419)
3906628

>  <LOCATION_CODE> (419)
PTNCS

>  <AMOUNT_CURRENT> (419)
33.7

$$$$
WAY-303704
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0310   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    1.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -1.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172    1.0448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4586   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897   -0.1966    0.0000 O   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
   -0.7517    1.0483    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  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
  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
  7 10  2  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C16H17NO3

>  <MolWeight> (420)
271.31108

>  <PCAT_CMPD_ID> (420)
WAY-303704

>  <CNC_ID> (420)
359394884

>  <transfer_container_id> (420)
PTN000000072

>  <COMPOUND_NUMBER> (420)
WAY-303704

>  <BAR_CODE_NO> (420)
3906632

>  <LOCATION_CODE> (420)
PTNCS

>  <AMOUNT_CURRENT> (420)
33.4

$$$$
WAY-303713-A
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5557    1.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281    1.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    1.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557    0.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0557    2.2796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936    1.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936    2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8305    1.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384    2.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9074    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547    2.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2616    2.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902    2.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9443    2.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074   -1.2963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5453   -2.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2098   -0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1616   -2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236   -1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926   -2.1687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926   -2.5687    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823   -2.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9443   -3.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8443   -3.5066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7616   -2.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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  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
 23 26  2  0  0  0  0
 24 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
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C21H27N3O2S

>  <MolWeight> (421)
385.52298

>  <PCAT_CMPD_ID> (421)
WAY-303713-A

>  <CNC_ID> (421)
359394893

>  <transfer_container_id> (421)
PTN000000072

>  <COMPOUND_NUMBER> (421)
WAY-303713-A

>  <BAR_CODE_NO> (421)
3906642

>  <LOCATION_CODE> (421)
PTNCS

>  <AMOUNT_CURRENT> (421)
33.8

$$$$
WAY-303720
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6421    0.6896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683    2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062    0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0938    0.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2938   -0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062    2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0421   -0.1587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    2.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7317   -0.5691    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3145   -1.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2421   -0.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8683    2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4731   -1.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8421   -1.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8062    2.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8683    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4628   -2.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8421   -2.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8062    0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6421   -3.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -4.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421   -4.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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
 15 19  1  0  0  0  0
 15 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
 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
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C23H31N3O3S

>  <MolWeight> (422)
429.57554

>  <PCAT_CMPD_ID> (422)
WAY-303720

>  <CNC_ID> (422)
359394900

>  <transfer_container_id> (422)
PTN000000072

>  <COMPOUND_NUMBER> (422)
WAY-303720

>  <BAR_CODE_NO> (422)
3906653

>  <LOCATION_CODE> (422)
PTNCS

>  <AMOUNT_CURRENT> (422)
33.4

$$$$
WAY-303730
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5100    0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106    0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963    1.7550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -1.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480    0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3204    1.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9244    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9244    1.7550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -2.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279    0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4721   -2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279   -0.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727    0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2106   -1.0968    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  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
  7 13  1  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
 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 12  1  0  0  0  0
 10 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C16H13BrN2O2

>  <MolWeight> (423)
345.19062

>  <PCAT_CMPD_ID> (423)
WAY-303730

>  <CNC_ID> (423)
359394910

>  <transfer_container_id> (423)
PTN000000072

>  <COMPOUND_NUMBER> (423)
WAY-303730

>  <BAR_CODE_NO> (423)
3906665

>  <LOCATION_CODE> (423)
PTNCS

>  <AMOUNT_CURRENT> (423)
33.9

$$$$
WAY-303731
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1726   -0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5933    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860    0.7858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -1.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933   -1.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964    0.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067   -1.8038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1554   -3.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933   -0.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140   -2.5866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8446   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8377    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5933    0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    2.9962    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3550   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3446    2.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1170    0.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 10 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
 17 19  2  0  0  0  0
  8 13  1  0  0  0  0
 12 15  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C14H10BrN3O

>  <MolWeight> (424)
316.1527

>  <PCAT_CMPD_ID> (424)
WAY-303731

>  <CNC_ID> (424)
359394911

>  <transfer_container_id> (424)
PTN000000072

>  <COMPOUND_NUMBER> (424)
WAY-303731

>  <BAR_CODE_NO> (424)
3906666

>  <LOCATION_CODE> (424)
PTNCS

>  <AMOUNT_CURRENT> (424)
33

$$$$
WAY-303736
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1793    0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -0.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    1.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -0.9035    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -1.1449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172    0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    2.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    2.6551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172   -0.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    2.9965    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    4.3378    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    2.9965    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828   -0.9932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828    1.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -2.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6172   -0.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828   -2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690   -0.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6034   -3.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8172   -1.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4586   -2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8172   -2.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  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
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C19H18F3N3OS

>  <MolWeight> (425)
393.4259296

>  <PCAT_CMPD_ID> (425)
WAY-303736

>  <CNC_ID> (425)
359394916

>  <transfer_container_id> (425)
PTN000000072

>  <COMPOUND_NUMBER> (425)
WAY-303736

>  <BAR_CODE_NO> (425)
3906673

>  <LOCATION_CODE> (425)
PTNCS

>  <AMOUNT_CURRENT> (425)
29.9

$$$$
WAY-303766
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.8310    0.9552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7034    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    0.6172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034    2.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    2.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -0.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103   -2.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310   -2.5966    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
  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  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  8  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (426)
426

>  <Formula> (426)
C12H12ClNO3S

>  <MolWeight> (426)
285.74658

>  <PCAT_CMPD_ID> (426)
WAY-303766

>  <CNC_ID> (426)
359394946

>  <transfer_container_id> (426)
PTN000000072

>  <COMPOUND_NUMBER> (426)
WAY-303766

>  <BAR_CODE_NO> (426)
3906709

>  <LOCATION_CODE> (426)
PTNCS

>  <AMOUNT_CURRENT> (426)
33.5

$$$$
WAY-303767
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.8103    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    1.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.9448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    2.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    2.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    2.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -2.9379    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
  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
  6  7  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C11H10ClN3O2S

>  <MolWeight> (427)
283.734

>  <PCAT_CMPD_ID> (427)
WAY-303767

>  <CNC_ID> (427)
359394947

>  <transfer_container_id> (427)
PTN000000072

>  <COMPOUND_NUMBER> (427)
WAY-303767

>  <BAR_CODE_NO> (427)
3906710

>  <LOCATION_CODE> (427)
PTNCS

>  <AMOUNT_CURRENT> (427)
33.6

$$$$
WAY-303770
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.4103   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -1.3586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -1.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    1.7276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    2.3897    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  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  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
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
 13 16  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C15H13N3O3S

>  <MolWeight> (428)
315.34702

>  <PCAT_CMPD_ID> (428)
WAY-303770

>  <CNC_ID> (428)
359394950

>  <transfer_container_id> (428)
PTN000000072

>  <COMPOUND_NUMBER> (428)
WAY-303770

>  <BAR_CODE_NO> (428)
3906713

>  <LOCATION_CODE> (428)
PTNCS

>  <AMOUNT_CURRENT> (428)
33

$$$$
WAY-303778
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6517    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    1.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5103    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -0.1379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -1.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069   -1.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3483   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0897   -0.5793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7690   -1.7586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069   -0.2793    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
  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
 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  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C16H12F3N3O2S

>  <MolWeight> (429)
367.3455896

>  <PCAT_CMPD_ID> (429)
WAY-303778

>  <CNC_ID> (429)
359394958

>  <transfer_container_id> (429)
PTN000000072

>  <COMPOUND_NUMBER> (429)
WAY-303778

>  <BAR_CODE_NO> (429)
3906721

>  <LOCATION_CODE> (429)
PTNCS

>  <AMOUNT_CURRENT> (429)
33.6

$$$$
WAY-303796
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2759   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.1241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9897    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897    0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -1.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    2.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4586   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586    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  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  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 18 24  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C19H15NO4

>  <MolWeight> (430)
321.3267

>  <PCAT_CMPD_ID> (430)
WAY-303796

>  <CNC_ID> (430)
359394976

>  <transfer_container_id> (430)
PTN000000072

>  <COMPOUND_NUMBER> (430)
WAY-303796

>  <BAR_CODE_NO> (430)
3906739

>  <LOCATION_CODE> (430)
PTNCS

>  <AMOUNT_CURRENT> (430)
33.9

$$$$
WAY-303797
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.2828    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.0276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9000    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9034   -0.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.0897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.1586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0966    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -0.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -3.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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> (431)
431

>  <Formula> (431)
C19H19ClN2O2S

>  <MolWeight> (431)
374.88436

>  <PCAT_CMPD_ID> (431)
WAY-303797

>  <CNC_ID> (431)
359394977

>  <transfer_container_id> (431)
PTN000000072

>  <COMPOUND_NUMBER> (431)
WAY-303797

>  <BAR_CODE_NO> (431)
3906741

>  <LOCATION_CODE> (431)
PTNCS

>  <AMOUNT_CURRENT> (431)
33.6

$$$$
WAY-303799
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.0690    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -1.6207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    3.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    2.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -3.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1690   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  7 10  1  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
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C11H14N2O2S

>  <MolWeight> (432)
238.30606

>  <PCAT_CMPD_ID> (432)
WAY-303799

>  <CNC_ID> (432)
359394979

>  <transfer_container_id> (432)
PTN000000072

>  <COMPOUND_NUMBER> (432)
WAY-303799

>  <BAR_CODE_NO> (432)
3906744

>  <LOCATION_CODE> (432)
PTNCS

>  <AMOUNT_CURRENT> (432)
33.8

$$$$
WAY-303805
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6342    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6342   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6342    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7549    1.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6238   -1.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7652   -1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555    1.0761    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8859    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -1.2722    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8756   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141   -0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0031    1.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9859   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037   -0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348   -1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4555    0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    2.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4348   -1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141   -0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C17H18OS2

>  <MolWeight> (433)
302.45422

>  <PCAT_CMPD_ID> (433)
WAY-303805

>  <CNC_ID> (433)
359394985

>  <transfer_container_id> (433)
PTN000000072

>  <COMPOUND_NUMBER> (433)
WAY-303805

>  <BAR_CODE_NO> (433)
3906754

>  <LOCATION_CODE> (433)
PTNCS

>  <AMOUNT_CURRENT> (433)
33.9

$$$$
WAY-303819
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.1310    0.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    0.8414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3690    0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897   -0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.0414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5483   -0.6379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    1.3621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    1.3621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    1.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    0.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -0.6103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4103   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -1.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724   -0.9897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8897   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -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  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  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
 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
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 23 25  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C19H19ClF4N4O2

>  <MolWeight> (434)
446.8263728

>  <PCAT_CMPD_ID> (434)
WAY-303819

>  <CNC_ID> (434)
359394999

>  <transfer_container_id> (434)
PTN000000072

>  <COMPOUND_NUMBER> (434)
WAY-303819

>  <BAR_CODE_NO> (434)
3906778

>  <LOCATION_CODE> (434)
PTNCS

>  <AMOUNT_CURRENT> (434)
33.6

$$$$
WAY-303838
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.3931    0.1759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8310    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.1517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138   -0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -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  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
 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
  8 11  2  0  0  0  0
 13 15  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C16H13N3OS

>  <MolWeight> (435)
295.35892

>  <PCAT_CMPD_ID> (435)
WAY-303838

>  <CNC_ID> (435)
359395018

>  <transfer_container_id> (435)
PTN000000072

>  <COMPOUND_NUMBER> (435)
WAY-303838

>  <BAR_CODE_NO> (435)
3906801

>  <LOCATION_CODE> (435)
PTNCS

>  <AMOUNT_CURRENT> (435)
33.1

$$$$
WAY-303843
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.5049    0.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2118    0.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8635   -0.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4256    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3049    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9773    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9911   -0.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7015    0.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6773    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0118    2.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   -1.1344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4429   -0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6567   -2.0137    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  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  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C10H15N3

>  <MolWeight> (436)
177.2462

>  <PCAT_CMPD_ID> (436)
WAY-303843

>  <CNC_ID> (436)
359395023

>  <transfer_container_id> (436)
PTN000000072

>  <COMPOUND_NUMBER> (436)
WAY-303843

>  <BAR_CODE_NO> (436)
3906807

>  <LOCATION_CODE> (436)
PTNCS

>  <AMOUNT_CURRENT> (436)
33.6

$$$$
WAY-303845
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.6691    1.1111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515    1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175   -0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895    0.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792    2.6491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7382   -1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520   -0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1175    3.3767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899    2.7801    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2239   -1.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4899   -2.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037   -1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0378   -0.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1619   -2.2889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9244   -2.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5654   -2.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  5 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
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C13H16N4S

>  <MolWeight> (437)
260.35794

>  <PCAT_CMPD_ID> (437)
WAY-303845

>  <CNC_ID> (437)
359395025

>  <transfer_container_id> (437)
PTN000000072

>  <COMPOUND_NUMBER> (437)
WAY-303845

>  <BAR_CODE_NO> (437)
3906809

>  <LOCATION_CODE> (437)
PTNCS

>  <AMOUNT_CURRENT> (437)
33.6

$$$$
WAY-303855
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6207    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7586   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -0.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793    0.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.1103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5966   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C22H21N5OS

>  <MolWeight> (438)
403.50004

>  <PCAT_CMPD_ID> (438)
WAY-303855

>  <CNC_ID> (438)
359395035

>  <transfer_container_id> (438)
PTN000000072

>  <COMPOUND_NUMBER> (438)
WAY-303855

>  <BAR_CODE_NO> (438)
3906821

>  <LOCATION_CODE> (438)
PTNCS

>  <AMOUNT_CURRENT> (438)
33.8

$$$$
WAY-303875
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.0241   -0.0483    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
   -0.3828   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    0.6759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4448    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241   -1.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2241    0.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  5 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  2  0  0  0  0
M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C15H17NO3

>  <MolWeight> (439)
259.30038

>  <PCAT_CMPD_ID> (439)
WAY-303875

>  <CNC_ID> (439)
359395055

>  <transfer_container_id> (439)
PTN000000072

>  <COMPOUND_NUMBER> (439)
WAY-303875

>  <BAR_CODE_NO> (439)
3906843

>  <LOCATION_CODE> (439)
PTNCS

>  <AMOUNT_CURRENT> (439)
33.2

$$$$
WAY-303885
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.4793    0.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.4069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0586    0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.4586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5207    0.9655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    1.5207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.9655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.3207    0.0000 N   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
    2.4207   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414    0.3207    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  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  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
 27 28  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  1  0  0  0  0
M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C18H15F3N4O3

>  <MolWeight> (440)
392.3319096

>  <PCAT_CMPD_ID> (440)
WAY-303885

>  <CNC_ID> (440)
359395064

>  <transfer_container_id> (440)
PTN000000072

>  <COMPOUND_NUMBER> (440)
WAY-303885

>  <BAR_CODE_NO> (440)
3906861

>  <LOCATION_CODE> (440)
PTNCS

>  <AMOUNT_CURRENT> (440)
33.4

$$$$
WAY-303901
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.4586   -0.8345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1414   -0.9931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -1.3724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.5552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828   -1.6138    0.0000 C   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
    0.3586    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    0.8069    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
   -0.8828    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    0.4448    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    1.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    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  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
 22 24  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> (441)
441

>  <Formula> (441)
C17H18BrNO3S2

>  <MolWeight> (441)
428.36372

>  <PCAT_CMPD_ID> (441)
WAY-303901

>  <CNC_ID> (441)
359395080

>  <transfer_container_id> (441)
PTN000000072

>  <COMPOUND_NUMBER> (441)
WAY-303901

>  <BAR_CODE_NO> (441)
3906881

>  <LOCATION_CODE> (441)
PTNCS

>  <AMOUNT_CURRENT> (441)
33.2

$$$$
WAY-303966
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.3830   -0.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933   -0.8933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830    0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0485   -1.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933    0.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0485    0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8071   -0.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623   -1.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136   -0.2174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933    0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    1.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3688    1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136   -0.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757    1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550    0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  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  6  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C11H10N2O4S

>  <MolWeight> (442)
266.2731

>  <PCAT_CMPD_ID> (442)
WAY-303966

>  <CNC_ID> (442)
359395145

>  <transfer_container_id> (442)
PTN000000072

>  <COMPOUND_NUMBER> (442)
WAY-303966

>  <BAR_CODE_NO> (442)
3906952

>  <LOCATION_CODE> (442)
PTNCS

>  <AMOUNT_CURRENT> (442)
33.4

$$$$
WAY-304019
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.3625    0.4708    0.0000 C   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
   -2.9958   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.4333    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
    0.7792    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.7458    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
    1.7167    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    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  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 13  1  0  0  0  0
 11 10  1  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  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  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 10  2  0  0  0  0
 22 14  2  0  0  0  0
 23  3  1  0  0  0  0
 24  4  1  0  0  0  0
 25 22  1  0  0  0  0
 26 14  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
  9  7  1  0  0  0  0
  6  4  1  0  0  0  0
 19 12  1  0  0  0  0
 29 27  2  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C19H21FN6O3

>  <MolWeight> (443)
400.4068432

>  <PCAT_CMPD_ID> (443)
WAY-304019

>  <CNC_ID> (443)
359395197

>  <transfer_container_id> (443)
PTN000000072

>  <COMPOUND_NUMBER> (443)
WAY-304019

>  <BAR_CODE_NO> (443)
3907019

>  <LOCATION_CODE> (443)
PTNCS

>  <AMOUNT_CURRENT> (443)
33

$$$$
WAY-304110
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.5483    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.7621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276    0.9517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -1.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1724   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7552   -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  1  0  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  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
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
  8 10  1  0  0  0  0
 15 17  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C21H25N3O2S

>  <MolWeight> (444)
383.5071

>  <PCAT_CMPD_ID> (444)
WAY-304110

>  <CNC_ID> (444)
359395288

>  <transfer_container_id> (444)
PTN000000072

>  <COMPOUND_NUMBER> (444)
WAY-304110

>  <BAR_CODE_NO> (444)
3907131

>  <LOCATION_CODE> (444)
PTNCS

>  <AMOUNT_CURRENT> (444)
33.2

$$$$
WAY-304112
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8795   -0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933    0.6899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933   -0.7101    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0692   -0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    1.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9968    0.7692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3933   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933   -1.6481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0692   -1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412   -0.2343    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4412    1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8795   -2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8795   -3.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9412    1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067    0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2895    0.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205    0.8519    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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 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
 18 19  1  0  0  0  0
  6  7  2  0  0  0  0
  9 12  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C13H11ClN4O

>  <MolWeight> (445)
274.70564

>  <PCAT_CMPD_ID> (445)
WAY-304112

>  <CNC_ID> (445)
359395290

>  <transfer_container_id> (445)
PTN000000072

>  <COMPOUND_NUMBER> (445)
WAY-304112

>  <BAR_CODE_NO> (445)
3907133

>  <LOCATION_CODE> (445)
PTNCS

>  <AMOUNT_CURRENT> (445)
33.8

$$$$
WAY-304114
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.2861    0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861    0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8102    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344    1.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3102   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    1.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102   -0.7075    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7723    0.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068    1.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930   -0.8040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9102    1.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2240    0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861   -0.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1656   -0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861    0.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760   -0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1656   -1.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932   -0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760   -2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -2.2385    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380   -0.3351    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932   -1.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4760    0.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1277   -1.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380    0.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2898   -0.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4760    1.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1139    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2898    1.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1139    1.1408    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  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  2  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
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 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
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 19 22  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C20H20ClN3O4S2

>  <MolWeight> (446)
465.9735

>  <PCAT_CMPD_ID> (446)
WAY-304114

>  <CNC_ID> (446)
359395292

>  <transfer_container_id> (446)
PTN000000072

>  <COMPOUND_NUMBER> (446)
WAY-304114

>  <BAR_CODE_NO> (446)
3907137

>  <LOCATION_CODE> (446)
PTNCS

>  <AMOUNT_CURRENT> (446)
33.2

$$$$
WAY-304138
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.5483   -0.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    0.1862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2586    0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -1.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -1.0931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1414    1.0379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    1.8862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    1.0379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -1.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -2.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1103   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -2.5207    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
   -2.0172    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2897    2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1586    2.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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
  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> (447)
447

>  <Formula> (447)
C18H20F3N5O3

>  <MolWeight> (447)
411.3783096

>  <PCAT_CMPD_ID> (447)
WAY-304138

>  <CNC_ID> (447)
359395316

>  <transfer_container_id> (447)
PTN000000072

>  <COMPOUND_NUMBER> (447)
WAY-304138

>  <BAR_CODE_NO> (447)
3907163

>  <LOCATION_CODE> (447)
PTNCS

>  <AMOUNT_CURRENT> (447)
33.9

$$$$
WAY-304194
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.2828   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621    0.2828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6034    0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897   -0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    1.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8793    2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    1.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -2.3931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.6897    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1379    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276   -1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5483    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -2.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5276   -2.2931    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
  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
 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 11  2  0  0  0  0
 17 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C18H17ClN2O5S

>  <MolWeight> (448)
408.85598

>  <PCAT_CMPD_ID> (448)
WAY-304194

>  <CNC_ID> (448)
359395372

>  <transfer_container_id> (448)
PTN000000072

>  <COMPOUND_NUMBER> (448)
WAY-304194

>  <BAR_CODE_NO> (448)
3907245

>  <LOCATION_CODE> (448)
PTNCS

>  <AMOUNT_CURRENT> (448)
33

$$$$
WAY-304196
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3897   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    0.2759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    1.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552   -0.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -2.2276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4966    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4966    2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5552    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793    1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5552    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9379   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0379    0.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759   -1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7207   -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
  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
 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
  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> (449)
449

>  <Formula> (449)
C17H19ClN2O4S

>  <MolWeight> (449)
382.86176

>  <PCAT_CMPD_ID> (449)
WAY-304196

>  <CNC_ID> (449)
359395374

>  <transfer_container_id> (449)
PTN000000072

>  <COMPOUND_NUMBER> (449)
WAY-304196

>  <BAR_CODE_NO> (449)
3907247

>  <LOCATION_CODE> (449)
PTNCS

>  <AMOUNT_CURRENT> (449)
33.5

$$$$
WAY-304216
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.2989    0.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4011   -0.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8782   -0.3199    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5161    0.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218   -0.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9839    0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4610    0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2161    0.7974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0989    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218   -0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5632   -0.1026    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610   -0.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390   -1.4026    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
  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  1  0  0  0  0
 10 13  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C8H9N3S2

>  <MolWeight> (450)
211.30716

>  <PCAT_CMPD_ID> (450)
WAY-304216

>  <CNC_ID> (450)
359395394

>  <transfer_container_id> (450)
PTN000000072

>  <COMPOUND_NUMBER> (450)
WAY-304216

>  <BAR_CODE_NO> (450)
3907271

>  <LOCATION_CODE> (450)
PTNCS

>  <AMOUNT_CURRENT> (450)
33.5

$$$$
WAY-304305
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.6621   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -1.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -1.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
  8 10  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C13H13N3O2

>  <MolWeight> (451)
243.26122

>  <PCAT_CMPD_ID> (451)
WAY-304305

>  <CNC_ID> (451)
359395482

>  <transfer_container_id> (451)
PTN000000072

>  <COMPOUND_NUMBER> (451)
WAY-304305

>  <BAR_CODE_NO> (451)
3907378

>  <LOCATION_CODE> (451)
PTNCS

>  <AMOUNT_CURRENT> (451)
33.5

$$$$
WAY-304351
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.0083    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.0708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    2.0583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    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  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 11  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  9  1  0  0  0  0
 12 19  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 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
 24 14  2  0  0  0  0
  4  3  1  0  0  0  0
 10 12  2  0  0  0  0
 16 17  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C15H10ClFN4O2S

>  <MolWeight> (452)
364.7819032

>  <PCAT_CMPD_ID> (452)
WAY-304351

>  <CNC_ID> (452)
359395528

>  <transfer_container_id> (452)
PTN000000072

>  <COMPOUND_NUMBER> (452)
WAY-304351

>  <BAR_CODE_NO> (452)
3907430

>  <LOCATION_CODE> (452)
PTNCS

>  <AMOUNT_CURRENT> (452)
33.4

$$$$
WAY-304424
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.2172    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483    1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    1.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4172    2.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931   -1.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793   -1.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  6 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
 12 16  1  0  0  0  0
 14 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
 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
  5  9  1  0  0  0  0
 13 16  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C21H22N4O2

>  <MolWeight> (453)
362.42498

>  <PCAT_CMPD_ID> (453)
WAY-304424

>  <CNC_ID> (453)
359395604

>  <transfer_container_id> (453)
PTN000000072

>  <COMPOUND_NUMBER> (453)
WAY-304424

>  <BAR_CODE_NO> (453)
3907511

>  <LOCATION_CODE> (453)
PTNCS

>  <AMOUNT_CURRENT> (453)
33.3

$$$$
WAY-304426
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4345    1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    0.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.8514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    1.8618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    1.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    1.8618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -0.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    0.8411    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    0.1618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -0.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276   -0.8589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    0.1618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966   -0.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862   -1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966   -2.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966   -1.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759   -0.8486    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
 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
 20 23  1  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> (454)
454

>  <Formula> (454)
C15H12ClN5OS

>  <MolWeight> (454)
345.80668

>  <PCAT_CMPD_ID> (454)
WAY-304426

>  <CNC_ID> (454)
359395606

>  <transfer_container_id> (454)
PTN000000072

>  <COMPOUND_NUMBER> (454)
WAY-304426

>  <BAR_CODE_NO> (454)
3907513

>  <LOCATION_CODE> (454)
PTNCS

>  <AMOUNT_CURRENT> (454)
33.7

$$$$
WAY-304440
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.3345    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931    0.6379    0.0000 C   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
   -1.3931   -1.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931   -1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931    1.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276   -1.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276    1.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3966    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C15H22N2O3

>  <MolWeight> (455)
278.34678

>  <PCAT_CMPD_ID> (455)
WAY-304440

>  <CNC_ID> (455)
359395620

>  <transfer_container_id> (455)
PTN000000072

>  <COMPOUND_NUMBER> (455)
WAY-304440

>  <BAR_CODE_NO> (455)
3907530

>  <LOCATION_CODE> (455)
PTNCS

>  <AMOUNT_CURRENT> (455)
33.4

$$$$
WAY-304506
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.8108    0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384   -0.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177   -1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384    1.8274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729    2.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1315    0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1892   -1.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1315    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409   -0.3933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5961   -3.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892   -0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2616    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2616   -1.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6064    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    1.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6064   -1.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823   -0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
  9 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C17H19N3O

>  <MolWeight> (456)
281.35226

>  <PCAT_CMPD_ID> (456)
WAY-304506

>  <CNC_ID> (456)
359395686

>  <transfer_container_id> (456)
PTN000000072

>  <COMPOUND_NUMBER> (456)
WAY-304506

>  <BAR_CODE_NO> (456)
3907606

>  <LOCATION_CODE> (456)
PTNCS

>  <AMOUNT_CURRENT> (456)
33.2

$$$$
WAY-304507
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.0379    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    2.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    1.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9517    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103    3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    3.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -3.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552    2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1483    4.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -4.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -3.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724    2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    4.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -5.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -4.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -5.7862    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  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
  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> (457)
457

>  <Formula> (457)
C20H17N3O3

>  <MolWeight> (457)
347.36728

>  <PCAT_CMPD_ID> (457)
WAY-304507

>  <CNC_ID> (457)
359395687

>  <transfer_container_id> (457)
PTN000000072

>  <COMPOUND_NUMBER> (457)
WAY-304507

>  <BAR_CODE_NO> (457)
3907607

>  <LOCATION_CODE> (457)
PTNCS

>  <AMOUNT_CURRENT> (457)
33.2

$$$$
WAY-304514
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.2000    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -0.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.8931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414   -0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    1.5345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.5345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    2.0724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -0.2828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6379   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586   -0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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
 27 31  1  0  0  0  0
 30 32  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
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C21H21F3N4O4

>  <MolWeight> (458)
450.4110496

>  <PCAT_CMPD_ID> (458)
WAY-304514

>  <CNC_ID> (458)
359395694

>  <transfer_container_id> (458)
PTN000000072

>  <COMPOUND_NUMBER> (458)
WAY-304514

>  <BAR_CODE_NO> (458)
3907616

>  <LOCATION_CODE> (458)
PTNCS

>  <AMOUNT_CURRENT> (458)
33.3

$$$$
WAY-304520
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3506   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2299   -0.5419    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8472   -1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817    0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0989   -0.6074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1644   -1.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954    0.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0058   -1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1368    0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6541   -1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6127    0.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3356   -0.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4299   -1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4161   -0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390    0.5236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183   -0.9764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5080    0.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183    1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9701   -0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7873    1.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8528   -0.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2597    0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5597    2.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 22 25  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C18H20N2O4S

>  <MolWeight> (459)
360.4274

>  <PCAT_CMPD_ID> (459)
WAY-304520

>  <CNC_ID> (459)
359395700

>  <transfer_container_id> (459)
PTN000000072

>  <COMPOUND_NUMBER> (459)
WAY-304520

>  <BAR_CODE_NO> (459)
3907624

>  <LOCATION_CODE> (459)
PTNCS

>  <AMOUNT_CURRENT> (459)
33.4

$$$$
WAY-304539
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.7379    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.0172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -0.0172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -1.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5379   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 20 21  1  0  0  0  0
 21 22  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> (460)
460

>  <Formula> (460)
C16H14N2O2S2

>  <MolWeight> (460)
330.42456

>  <PCAT_CMPD_ID> (460)
WAY-304539

>  <CNC_ID> (460)
359395719

>  <transfer_container_id> (460)
PTN000000072

>  <COMPOUND_NUMBER> (460)
WAY-304539

>  <BAR_CODE_NO> (460)
3907645

>  <LOCATION_CODE> (460)
PTNCS

>  <AMOUNT_CURRENT> (460)
33.8

$$$$
WAY-304542
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.1069   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -0.9586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -0.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966   -1.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138   -0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -2.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6586   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931   -1.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6966    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1138   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931    3.0897    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4241    3.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    3.6000    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
  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
 15 19  1  0  0  0  0
 16 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  2  0  0  0  0
 26 28  1  0  0  0  0
  9 13  2  0  0  0  0
 18 19  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C19H21N3O5S

>  <MolWeight> (461)
403.45214

>  <PCAT_CMPD_ID> (461)
WAY-304542

>  <CNC_ID> (461)
359395722

>  <transfer_container_id> (461)
PTN000000072

>  <COMPOUND_NUMBER> (461)
WAY-304542

>  <BAR_CODE_NO> (461)
3907648

>  <LOCATION_CODE> (461)
PTNCS

>  <AMOUNT_CURRENT> (461)
33.3

$$$$
WAY-304564
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.8586    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -0.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586    1.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -1.8310    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897   -1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -0.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690   -0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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
 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
 20 23  2  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
  8  9  2  0  0  0  0
 19 22  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C19H15BrN4O3

>  <MolWeight> (462)
427.2514

>  <PCAT_CMPD_ID> (462)
WAY-304564

>  <CNC_ID> (462)
359395744

>  <transfer_container_id> (462)
PTN000000072

>  <COMPOUND_NUMBER> (462)
WAY-304564

>  <BAR_CODE_NO> (462)
3907675

>  <LOCATION_CODE> (462)
PTNCS

>  <AMOUNT_CURRENT> (462)
33.4

$$$$
WAY-304578
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.1310   -0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7241   -2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8931   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -3.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7138   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    0.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103    0.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241    1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6345    0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3552    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3483    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  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
 11 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
 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
 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
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C21H23N5OS

>  <MolWeight> (463)
393.50522

>  <PCAT_CMPD_ID> (463)
WAY-304578

>  <CNC_ID> (463)
359395758

>  <transfer_container_id> (463)
PTN000000072

>  <COMPOUND_NUMBER> (463)
WAY-304578

>  <BAR_CODE_NO> (463)
3907690

>  <LOCATION_CODE> (463)
PTNCS

>  <AMOUNT_CURRENT> (463)
33.1

$$$$
WAY-304583
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4207    0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    0.6379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4276   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310   -1.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -0.9828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.2069    0.0000 O   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
    2.3517   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379   -1.8138    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  1  0  0  0  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
  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  1  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
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
 15 18  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C19H17N5O

>  <MolWeight> (464)
331.37118

>  <PCAT_CMPD_ID> (464)
WAY-304583

>  <CNC_ID> (464)
359395763

>  <transfer_container_id> (464)
PTN000000072

>  <COMPOUND_NUMBER> (464)
WAY-304583

>  <BAR_CODE_NO> (464)
3907695

>  <LOCATION_CODE> (464)
PTNCS

>  <AMOUNT_CURRENT> (464)
33.4

$$$$
WAY-304604
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.6345    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -0.7931    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
    1.6931   -0.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -1.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5828    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -1.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862    0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379   -1.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1069   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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> (465)
465

>  <Formula> (465)
C17H15N3O3

>  <MolWeight> (465)
309.3193

>  <PCAT_CMPD_ID> (465)
WAY-304604

>  <CNC_ID> (465)
359395784

>  <transfer_container_id> (465)
PTN000000072

>  <COMPOUND_NUMBER> (465)
WAY-304604

>  <BAR_CODE_NO> (465)
3907722

>  <LOCATION_CODE> (465)
PTNCS

>  <AMOUNT_CURRENT> (465)
33.2

$$$$
WAY-304608
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0241   -0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -1.0103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1586    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -0.1241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5379    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -0.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345    1.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    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  1  0  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  2  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
 14 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
  5  7  1  0  0  0  0
 10 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C19H26N2O2

>  <MolWeight> (466)
314.42194

>  <PCAT_CMPD_ID> (466)
WAY-304608

>  <CNC_ID> (466)
359395788

>  <transfer_container_id> (466)
PTN000000072

>  <COMPOUND_NUMBER> (466)
WAY-304608

>  <BAR_CODE_NO> (466)
3907726

>  <LOCATION_CODE> (466)
PTNCS

>  <AMOUNT_CURRENT> (466)
33.7

$$$$
WAY-304613
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.2379   -0.2966    0.0000 N   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
   -0.8483   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345   -1.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172   -1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0966   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -2.9586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -0.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    2.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4586    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    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  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  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
 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  1  0  0  0  0
 21 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
 26 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
  9 11  1  0  0  0  0
 14 18  2  0  0  0  0
 19 20  2  0  0  0  0
 24 26  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C24H16FN3O3

>  <MolWeight> (467)
413.4005432

>  <PCAT_CMPD_ID> (467)
WAY-304613

>  <CNC_ID> (467)
359395793

>  <transfer_container_id> (467)
PTN000000072

>  <COMPOUND_NUMBER> (467)
WAY-304613

>  <BAR_CODE_NO> (467)
3907731

>  <LOCATION_CODE> (467)
PTNCS

>  <AMOUNT_CURRENT> (467)
33.4

$$$$
WAY-304618
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.0000    0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    0.2345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0207   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.4690    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
    1.8448   -1.1897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3862    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    1.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -0.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -1.0586    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  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
 10 14  1  0  0  0  0
 10 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
  5  7  1  0  0  0  0
 10 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C19H27NO3

>  <MolWeight> (468)
317.42258

>  <PCAT_CMPD_ID> (468)
WAY-304618

>  <CNC_ID> (468)
359395798

>  <transfer_container_id> (468)
PTN000000072

>  <COMPOUND_NUMBER> (468)
WAY-304618

>  <BAR_CODE_NO> (468)
3907736

>  <LOCATION_CODE> (468)
PTNCS

>  <AMOUNT_CURRENT> (468)
33.7

$$$$
WAY-304627
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.2172   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -0.5966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    1.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    1.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.2345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8000   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
  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  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
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 14 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C18H18N2OS

>  <MolWeight> (469)
310.41332

>  <PCAT_CMPD_ID> (469)
WAY-304627

>  <CNC_ID> (469)
359395807

>  <transfer_container_id> (469)
PTN000000072

>  <COMPOUND_NUMBER> (469)
WAY-304627

>  <BAR_CODE_NO> (469)
3907745

>  <LOCATION_CODE> (469)
PTNCS

>  <AMOUNT_CURRENT> (469)
33.8

$$$$
WAY-304632-A
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0414   -1.4483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6276   -0.9552    0.0000 N   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
    0.2207   -2.2310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.7483    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0586    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    1.2759    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0586    2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    2.7517    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  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
 12 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
 21 23  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> (470)
470

>  <Formula> (470)
C16H21N3O3S

>  <MolWeight> (470)
335.42124

>  <PCAT_CMPD_ID> (470)
WAY-304632-A

>  <CNC_ID> (470)
359395812

>  <transfer_container_id> (470)
PTN000000072

>  <COMPOUND_NUMBER> (470)
WAY-304632-A

>  <BAR_CODE_NO> (470)
3907754

>  <LOCATION_CODE> (470)
PTNCS

>  <AMOUNT_CURRENT> (470)
33.1

$$$$
WAY-304654
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.5931    0.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    0.7241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -1.4897    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
   -1.0621    1.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.2103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3793   -2.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -2.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138    2.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414    2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379   -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  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  1  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
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 12 17  2  0  0  0  0
 19 21  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (471)
471

>  <Formula> (471)
C20H26N2O3S

>  <MolWeight> (471)
374.49704

>  <PCAT_CMPD_ID> (471)
WAY-304654

>  <CNC_ID> (471)
359395834

>  <transfer_container_id> (471)
PTN000000072

>  <COMPOUND_NUMBER> (471)
WAY-304654

>  <BAR_CODE_NO> (471)
3907781

>  <LOCATION_CODE> (471)
PTNCS

>  <AMOUNT_CURRENT> (471)
33.6

$$$$
WAY-304679
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.1483    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -2.1241    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
    2.9103   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    1.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5759    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
 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> (472)
472

>  <Formula> (472)
C20H17N3O3

>  <MolWeight> (472)
347.36728

>  <PCAT_CMPD_ID> (472)
WAY-304679

>  <CNC_ID> (472)
359395859

>  <transfer_container_id> (472)
PTN000000072

>  <COMPOUND_NUMBER> (472)
WAY-304679

>  <BAR_CODE_NO> (472)
3907807

>  <LOCATION_CODE> (472)
PTNCS

>  <AMOUNT_CURRENT> (472)
33.2

$$$$
WAY-304698
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4828    0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    0.8793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3207    0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.5621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -0.4414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1586    1.7586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    1.7586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    2.6379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414   -0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414    0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -1.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1897   -1.1828    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
  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  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C12H10ClF3N4O2

>  <MolWeight> (473)
334.6816096

>  <PCAT_CMPD_ID> (473)
WAY-304698

>  <CNC_ID> (473)
359395878

>  <transfer_container_id> (473)
PTN000000072

>  <COMPOUND_NUMBER> (473)
WAY-304698

>  <BAR_CODE_NO> (473)
3907829

>  <LOCATION_CODE> (473)
PTNCS

>  <AMOUNT_CURRENT> (473)
33.4

$$$$
WAY-304732
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.6241   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8966   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8345   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1379   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    1.4862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517   -0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759   -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  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  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
  7  8  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C12H11N3OS2

>  <MolWeight> (474)
277.36524

>  <PCAT_CMPD_ID> (474)
WAY-304732

>  <CNC_ID> (474)
359395912

>  <transfer_container_id> (474)
PTN000000072

>  <COMPOUND_NUMBER> (474)
WAY-304732

>  <BAR_CODE_NO> (474)
3907872

>  <LOCATION_CODE> (474)
PTNCS

>  <AMOUNT_CURRENT> (474)
33.5

$$$$
WAY-304737
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.6241   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8966   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8345   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1379   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207    1.4862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517   -0.6172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655    0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759   -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  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  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
  7  8  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (475)
475

>  <Formula> (475)
C12H11N3O2S

>  <MolWeight> (475)
261.29964

>  <PCAT_CMPD_ID> (475)
WAY-304737

>  <CNC_ID> (475)
359395917

>  <transfer_container_id> (475)
PTN000000072

>  <COMPOUND_NUMBER> (475)
WAY-304737

>  <BAR_CODE_NO> (475)
3907877

>  <LOCATION_CODE> (475)
PTNCS

>  <AMOUNT_CURRENT> (475)
33.5

$$$$
WAY-304753
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.5241    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    1.3345    0.0000 C   0  0  0  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
    2.2414    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -1.9621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -1.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    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
  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
  9 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
 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  2  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (476)
476

>  <Formula> (476)
C18H15N3OS

>  <MolWeight> (476)
321.3962

>  <PCAT_CMPD_ID> (476)
WAY-304753

>  <CNC_ID> (476)
359395933

>  <transfer_container_id> (476)
PTN000000072

>  <COMPOUND_NUMBER> (476)
WAY-304753

>  <BAR_CODE_NO> (476)
3907901

>  <LOCATION_CODE> (476)
PTNCS

>  <AMOUNT_CURRENT> (476)
33.1

$$$$
WAY-304815-A
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.0584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -1.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    0.7657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -1.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (477)
477

>  <Formula> (477)
C11H23N3

>  <MolWeight> (477)
197.32042

>  <PCAT_CMPD_ID> (477)
WAY-304815-A

>  <CNC_ID> (477)
359395994

>  <transfer_container_id> (477)
PTN000000072

>  <COMPOUND_NUMBER> (477)
WAY-304815-A

>  <BAR_CODE_NO> (477)
3907968

>  <LOCATION_CODE> (477)
PTNCS

>  <AMOUNT_CURRENT> (477)
33.3

$$$$
WAY-304816-A
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.1550    7.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8643    7.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8823    6.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4411    7.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1550    6.2122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1550    8.6904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4411    6.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696    9.9161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8554    9.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6051    6.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5647    8.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8554    9.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5647   10.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696    9.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6051    5.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3054    6.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138    7.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3189    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0238    6.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    5.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4411    9.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9834   10.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138    6.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8185    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6342    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  4  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  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
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  4  2  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  6  1  0  0  0  0
 22  8  1  0  0  0  0
 23  7  2  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  2  0  0  0  0
  5  3  2  0  0  0  0
 14  8  1  0  0  0  0
 26 23  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (478)
478

>  <Formula> (478)
C22H26N4

>  <MolWeight> (478)
346.46864

>  <PCAT_CMPD_ID> (478)
WAY-304816-A

>  <CNC_ID> (478)
359395995

>  <transfer_container_id> (478)
PTN000000072

>  <COMPOUND_NUMBER> (478)
WAY-304816-A

>  <BAR_CODE_NO> (478)
3907970

>  <LOCATION_CODE> (478)
PTNCS

>  <AMOUNT_CURRENT> (478)
33.6

$$$$
WAY-304817
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8170   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3377    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2757    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481   -0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7515   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0588   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933    0.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0623   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5243    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5278   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933   -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  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  2  0  0  0  0
 17 19  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (479)
479

>  <Formula> (479)
C16H12N2O

>  <MolWeight> (479)
248.27928

>  <PCAT_CMPD_ID> (479)
WAY-304817

>  <CNC_ID> (479)
359395996

>  <transfer_container_id> (479)
PTN000000072

>  <COMPOUND_NUMBER> (479)
WAY-304817

>  <BAR_CODE_NO> (479)
3907971

>  <LOCATION_CODE> (479)
PTNCS

>  <AMOUNT_CURRENT> (479)
33.4

$$$$
WAY-304820
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.5551   -0.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5551   -1.1590    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654    0.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8725   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758   -1.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242   -1.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -1.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7033    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5863    0.0789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8725   -1.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7033    0.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240   -0.3314    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3001   -0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137    1.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137    2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6967   -0.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1070    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622    0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
 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
 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  1  0  0  0  0
 12 15  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (480)
480

>  <Formula> (480)
C15H17ClN2O5S

>  <MolWeight> (480)
372.82388

>  <PCAT_CMPD_ID> (480)
WAY-304820

>  <CNC_ID> (480)
359395999

>  <transfer_container_id> (480)
PTN000000072

>  <COMPOUND_NUMBER> (480)
WAY-304820

>  <BAR_CODE_NO> (480)
3907975

>  <LOCATION_CODE> (480)
PTNCS

>  <AMOUNT_CURRENT> (480)
33.9

$$$$
WAY-304838
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5172    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.3517    0.0000 S   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
   -1.4690   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1862   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379   -1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -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  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
 14 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
 20 22  2  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 12  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (481)
481

>  <Formula> (481)
C19H19N3OS

>  <MolWeight> (481)
337.43866

>  <PCAT_CMPD_ID> (481)
WAY-304838

>  <CNC_ID> (481)
359396017

>  <transfer_container_id> (481)
PTN000000072

>  <COMPOUND_NUMBER> (481)
WAY-304838

>  <BAR_CODE_NO> (481)
3907994

>  <LOCATION_CODE> (481)
PTNCS

>  <AMOUNT_CURRENT> (481)
33.3

$$$$
WAY-304846
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.2648    0.3227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898    1.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398    0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2436   -1.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189    1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144   -0.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106   -0.3606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    1.0727    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0686   -1.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2981    1.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8477   -1.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7314    0.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4936   -1.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   -0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106    0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3186   -1.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811   -0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5394   -0.9815    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9398    1.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1648    0.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7648    1.6977    0.0000 C   0  0  0  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  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  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 16  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 18  1  0  0  0  0
 16  5  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  5  2  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 12 21  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C14H11ClN4O2S

>  <MolWeight> (482)
334.78074

>  <PCAT_CMPD_ID> (482)
WAY-304846

>  <CNC_ID> (482)
359396025

>  <transfer_container_id> (482)
PTN000000072

>  <COMPOUND_NUMBER> (482)
WAY-304846

>  <BAR_CODE_NO> (482)
3908003

>  <LOCATION_CODE> (482)
PTNCS

>  <AMOUNT_CURRENT> (482)
33.4

$$$$
WAY-304853
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.1534    6.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1534    7.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    6.3249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    6.3001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    7.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8825    7.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7199    6.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775    6.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7199    7.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4397    8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5973    8.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    6.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0017    6.6880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2664    5.4623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7061    6.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6906    5.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4290    6.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3856    5.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1054    5.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8191    5.0000    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
  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
 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
 21 22  1  0  0  0  0
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C17H17N3OS

>  <MolWeight> (483)
311.40138

>  <PCAT_CMPD_ID> (483)
WAY-304853

>  <CNC_ID> (483)
359396032

>  <transfer_container_id> (483)
PTN000000072

>  <COMPOUND_NUMBER> (483)
WAY-304853

>  <BAR_CODE_NO> (483)
3908012

>  <LOCATION_CODE> (483)
PTNCS

>  <AMOUNT_CURRENT> (483)
33.4

$$$$
WAY-304857
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.8034   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345   -2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -2.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    1.3862    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  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  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> (484)
484

>  <Formula> (484)
C15H14BrNO

>  <MolWeight> (484)
304.18176

>  <PCAT_CMPD_ID> (484)
WAY-304857

>  <CNC_ID> (484)
359396036

>  <transfer_container_id> (484)
PTN000000072

>  <COMPOUND_NUMBER> (484)
WAY-304857

>  <BAR_CODE_NO> (484)
3908016

>  <LOCATION_CODE> (484)
PTNCS

>  <AMOUNT_CURRENT> (484)
33.4

$$$$
WAY-304876
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.7966   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966   -1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3759   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345    0.3448    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
   -0.9759    0.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9724   -2.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   -0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517    1.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6897   -0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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  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  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C21H19NO6

>  <MolWeight> (485)
381.37866

>  <PCAT_CMPD_ID> (485)
WAY-304876

>  <CNC_ID> (485)
359396055

>  <transfer_container_id> (485)
PTN000000072

>  <COMPOUND_NUMBER> (485)
WAY-304876

>  <BAR_CODE_NO> (485)
3908038

>  <LOCATION_CODE> (485)
PTNCS

>  <AMOUNT_CURRENT> (485)
33.4

$$$$
WAY-304881
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.7172    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4207    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -1.7862    0.0000 O   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
   -2.0655   -1.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793    0.0655    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
  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
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
  8  9  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (486)
486

>  <Formula> (486)
C11H12N4O

>  <MolWeight> (486)
216.23918

>  <PCAT_CMPD_ID> (486)
WAY-304881

>  <CNC_ID> (486)
359396059

>  <transfer_container_id> (486)
PTN000000072

>  <COMPOUND_NUMBER> (486)
WAY-304881

>  <BAR_CODE_NO> (486)
3908044

>  <LOCATION_CODE> (486)
PTNCS

>  <AMOUNT_CURRENT> (486)
33.8

$$$$
WAY-304893
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.7343   -0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964    0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343   -2.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1653    0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1140   -0.4347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964    2.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1653   -2.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6446   -0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761    0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6032   -2.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243    1.9929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554   -0.1243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554    2.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140    1.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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> (487)
487

>  <Formula> (487)
C10H14N2OS

>  <MolWeight> (487)
210.29596

>  <PCAT_CMPD_ID> (487)
WAY-304893

>  <CNC_ID> (487)
359396071

>  <transfer_container_id> (487)
PTN000000072

>  <COMPOUND_NUMBER> (487)
WAY-304893

>  <BAR_CODE_NO> (487)
3908059

>  <LOCATION_CODE> (487)
PTNCS

>  <AMOUNT_CURRENT> (487)
33.1

$$$$
WAY-304899
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4611   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.1809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -1.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527    0.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956   -2.1605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4818    1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093    1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -1.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4818    3.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093    3.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493   -2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    3.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5631   -1.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493   -3.3191    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
  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
  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  2  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C13H18N2O2

>  <MolWeight> (488)
234.29422

>  <PCAT_CMPD_ID> (488)
WAY-304899

>  <CNC_ID> (488)
359396077

>  <transfer_container_id> (488)
PTN000000072

>  <COMPOUND_NUMBER> (488)
WAY-304899

>  <BAR_CODE_NO> (488)
3908066

>  <LOCATION_CODE> (488)
PTNCS

>  <AMOUNT_CURRENT> (488)
33.3

$$$$
WAY-304909
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.2966   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -1.5172    0.0000 C   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
   -0.7069   -1.9931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -1.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069   -1.5172    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
    1.3310   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C15H13N3S

>  <MolWeight> (489)
267.34882

>  <PCAT_CMPD_ID> (489)
WAY-304909

>  <CNC_ID> (489)
359396087

>  <transfer_container_id> (489)
PTN000000072

>  <COMPOUND_NUMBER> (489)
WAY-304909

>  <BAR_CODE_NO> (489)
3908076

>  <LOCATION_CODE> (489)
PTNCS

>  <AMOUNT_CURRENT> (489)
33.7

$$$$
WAY-304916
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.0376   -1.1653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -1.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7549   -0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6831   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7031   -2.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4652   -1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4969   -1.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -2.0377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244    0.6726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1376   -2.4377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5003    1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8238   -2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3859   -3.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -3.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520    2.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    2.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3031   -2.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348    2.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003    3.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762    3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762    4.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0244    4.9726    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  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
 22 23  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C15H22N2O5S

>  <MolWeight> (490)
342.41058

>  <PCAT_CMPD_ID> (490)
WAY-304916

>  <CNC_ID> (490)
359396094

>  <transfer_container_id> (490)
PTN000000072

>  <COMPOUND_NUMBER> (490)
WAY-304916

>  <BAR_CODE_NO> (490)
3908083

>  <LOCATION_CODE> (490)
PTNCS

>  <AMOUNT_CURRENT> (490)
33.2

$$$$
WAY-304981
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.8931   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -1.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -0.0931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    1.2207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3862    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.9069    0.0000 C   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
   -2.8586    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -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  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
 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
  6  7  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C13H14N2OS

>  <MolWeight> (491)
246.32806

>  <PCAT_CMPD_ID> (491)
WAY-304981

>  <CNC_ID> (491)
359396158

>  <transfer_container_id> (491)
PTN000000072

>  <COMPOUND_NUMBER> (491)
WAY-304981

>  <BAR_CODE_NO> (491)
3908164

>  <LOCATION_CODE> (491)
PTNCS

>  <AMOUNT_CURRENT> (491)
33.7

$$$$
WAY-304982
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.6103   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -2.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -1.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -2.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0931   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069    1.4069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897    2.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    1.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    3.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 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
 21 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
 18 19  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C19H22N2O5S

>  <MolWeight> (492)
390.45338

>  <PCAT_CMPD_ID> (492)
WAY-304982

>  <CNC_ID> (492)
359396159

>  <transfer_container_id> (492)
PTN000000072

>  <COMPOUND_NUMBER> (492)
WAY-304982

>  <BAR_CODE_NO> (492)
3908165

>  <LOCATION_CODE> (492)
PTNCS

>  <AMOUNT_CURRENT> (492)
33.2

$$$$
WAY-304999
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8655    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    2.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    2.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759    1.2034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1069   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5345   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552   -1.2793    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
  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  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  8  2  0  0  0  0
 14 16  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C17H16ClN3S

>  <MolWeight> (493)
329.84704

>  <PCAT_CMPD_ID> (493)
WAY-304999

>  <CNC_ID> (493)
359396176

>  <transfer_container_id> (493)
PTN000000072

>  <COMPOUND_NUMBER> (493)
WAY-304999

>  <BAR_CODE_NO> (493)
3908184

>  <LOCATION_CODE> (493)
PTNCS

>  <AMOUNT_CURRENT> (493)
33.9

$$$$
WAY-305009
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.3172   -0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    0.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0379   -1.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241    1.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    0.8828    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
  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
  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
  8 12  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C12H11N3O3

>  <MolWeight> (494)
245.23404

>  <PCAT_CMPD_ID> (494)
WAY-305009

>  <CNC_ID> (494)
359396186

>  <transfer_container_id> (494)
PTN000000072

>  <COMPOUND_NUMBER> (494)
WAY-305009

>  <BAR_CODE_NO> (494)
3908199

>  <LOCATION_CODE> (494)
PTNCS

>  <AMOUNT_CURRENT> (494)
33.4

$$$$
WAY-305034
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.1345    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -1.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    1.5172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -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  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
  8 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
 12 17  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C14H14ClNO

>  <MolWeight> (495)
247.72006

>  <PCAT_CMPD_ID> (495)
WAY-305034

>  <CNC_ID> (495)
359396211

>  <transfer_container_id> (495)
PTN000000072

>  <COMPOUND_NUMBER> (495)
WAY-305034

>  <BAR_CODE_NO> (495)
3908226

>  <LOCATION_CODE> (495)
PTNCS

>  <AMOUNT_CURRENT> (495)
33.8

$$$$
WAY-305046-A
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.0103    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    2.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    3.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    2.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103    3.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483   -3.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -3.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -4.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C21H23N3O2

>  <MolWeight> (496)
349.42622

>  <PCAT_CMPD_ID> (496)
WAY-305046-A

>  <CNC_ID> (496)
359396223

>  <transfer_container_id> (496)
PTN000000072

>  <COMPOUND_NUMBER> (496)
WAY-305046-A

>  <BAR_CODE_NO> (496)
3908245

>  <LOCATION_CODE> (496)
PTNCS

>  <AMOUNT_CURRENT> (496)
33.1

$$$$
WAY-305056
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.0517    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897   -1.0379    0.0000 C   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
   -2.6690   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -1.7379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -1.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.7793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6517   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -0.6241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4931    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   -1.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4103    0.8793    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> (497)
497

>  <Formula> (497)
C13H14N2O3S2

>  <MolWeight> (497)
310.39186

>  <PCAT_CMPD_ID> (497)
WAY-305056

>  <CNC_ID> (497)
359396233

>  <transfer_container_id> (497)
PTN000000072

>  <COMPOUND_NUMBER> (497)
WAY-305056

>  <BAR_CODE_NO> (497)
3908258

>  <LOCATION_CODE> (497)
PTNCS

>  <AMOUNT_CURRENT> (497)
33.8

$$$$
WAY-305165
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.7931   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759   -0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172    0.7724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3517   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9345    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517   -1.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6483    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    0.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -0.0517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2069   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9207   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9207   -1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6379   -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
  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  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  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  2  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
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C20H29N3O2

>  <MolWeight> (498)
343.46316

>  <PCAT_CMPD_ID> (498)
WAY-305165

>  <CNC_ID> (498)
359396341

>  <transfer_container_id> (498)
PTN000000072

>  <COMPOUND_NUMBER> (498)
WAY-305165

>  <BAR_CODE_NO> (498)
3908391

>  <LOCATION_CODE> (498)
PTNCS

>  <AMOUNT_CURRENT> (498)
33.5

$$$$
WAY-305167
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7803    0.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7803    1.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    0.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1611    0.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1611    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    0.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1611   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370    3.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025    1.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    3.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7803   -1.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216   -1.5822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630    1.1143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784   -1.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7803    3.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025    0.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0059   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9473   -1.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0059   -3.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9232   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8680   -3.1926    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  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  3  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
 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
  9 13  1  0  0  0  0
 12 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C19H14BrN3O

>  <MolWeight> (499)
380.23796

>  <PCAT_CMPD_ID> (499)
WAY-305167

>  <CNC_ID> (499)
359396343

>  <transfer_container_id> (499)
PTN000000072

>  <COMPOUND_NUMBER> (499)
WAY-305167

>  <BAR_CODE_NO> (499)
3908394

>  <LOCATION_CODE> (499)
PTNCS

>  <AMOUNT_CURRENT> (499)
33.9

$$$$
WAY-305170
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.1276    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    1.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276    1.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069    0.5828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -1.4172    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
 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> (500)
500

>  <Formula> (500)
C11H12ClN3OS

>  <MolWeight> (500)
269.75048

>  <PCAT_CMPD_ID> (500)
WAY-305170

>  <CNC_ID> (500)
359396346

>  <transfer_container_id> (500)
PTN000000072

>  <COMPOUND_NUMBER> (500)
WAY-305170

>  <BAR_CODE_NO> (500)
3908398

>  <LOCATION_CODE> (500)
PTNCS

>  <AMOUNT_CURRENT> (500)
33.7

$$$$
WAY-305173
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.5133   -0.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6512    0.0068    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5133   -1.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936   -0.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8064    0.6654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167   -1.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098    1.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167   -2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936   -1.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9236    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8064    1.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -0.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8522    1.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0340    0.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9029    2.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0340    1.9137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1384   -0.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1384   -1.9001    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1384    1.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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  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
 11 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
 15 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
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
  9 12  1  0  0  0  0
 18 20  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C18H18BrNO5S

>  <MolWeight> (501)
440.30822

>  <PCAT_CMPD_ID> (501)
WAY-305173

>  <CNC_ID> (501)
359396349

>  <transfer_container_id> (501)
PTN000000072

>  <COMPOUND_NUMBER> (501)
WAY-305173

>  <BAR_CODE_NO> (501)
3908401

>  <LOCATION_CODE> (501)
PTNCS

>  <AMOUNT_CURRENT> (501)
30.3

$$$$
WAY-305180
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9784    0.3886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784    0.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6284   -1.0031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    0.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1674   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8216    1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9716   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0951   -0.8739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6341   -0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091   -1.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    0.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8534    1.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    1.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   -0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3591    1.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1451   -1.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0284    0.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9451   -0.7614    0.0000 C   0  0  0  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  9  1  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  7  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  9  2  0  0  0  0
 15 18  2  0  0  0  0
 16  2  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21  8  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  8  5  2  0  0  0  0
 23 22  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C16H12N2O4S

>  <MolWeight> (502)
328.34248

>  <PCAT_CMPD_ID> (502)
WAY-305180

>  <CNC_ID> (502)
359396356

>  <transfer_container_id> (502)
PTN000000072

>  <COMPOUND_NUMBER> (502)
WAY-305180

>  <BAR_CODE_NO> (502)
3908408

>  <LOCATION_CODE> (502)
PTNCS

>  <AMOUNT_CURRENT> (502)
33.5

$$$$
WAY-305184
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.6276    0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    0.9668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449    0.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4965    0.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4965   -0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -2.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    0.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449   -0.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -2.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448   -2.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173    0.4116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    0.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0035    0.4116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    2.0461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9483    0.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9483    2.0461    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
  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
  9 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
 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
  7  8  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C11H10N4O3S

>  <MolWeight> (503)
278.2871

>  <PCAT_CMPD_ID> (503)
WAY-305184

>  <CNC_ID> (503)
359396360

>  <transfer_container_id> (503)
PTN000000072

>  <COMPOUND_NUMBER> (503)
WAY-305184

>  <BAR_CODE_NO> (503)
3908412

>  <LOCATION_CODE> (503)
PTNCS

>  <AMOUNT_CURRENT> (503)
33

$$$$
WAY-305192
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5450    0.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657    2.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860    0.2651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5864    0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554    2.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757    2.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067   -0.3245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757    1.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761    0.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554    2.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550    3.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067   -1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5554    0.2927    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -2.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239   -2.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860   -3.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239   -3.2245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067   -3.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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
 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
 10 11  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C12H11BrN2O3S

>  <MolWeight> (504)
343.19634

>  <PCAT_CMPD_ID> (504)
WAY-305192

>  <CNC_ID> (504)
359396368

>  <transfer_container_id> (504)
PTN000000072

>  <COMPOUND_NUMBER> (504)
WAY-305192

>  <BAR_CODE_NO> (504)
3908422

>  <LOCATION_CODE> (504)
PTNCS

>  <AMOUNT_CURRENT> (504)
33.4

$$$$
WAY-305231
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9138    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    1.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517    1.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    2.7586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138    2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -2.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621   -1.6172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.4000   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -0.6483    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
  6 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
 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
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C15H10N4O3

>  <MolWeight> (505)
294.2649

>  <PCAT_CMPD_ID> (505)
WAY-305231

>  <CNC_ID> (505)
359396407

>  <transfer_container_id> (505)
PTN000000072

>  <COMPOUND_NUMBER> (505)
WAY-305231

>  <BAR_CODE_NO> (505)
3908469

>  <LOCATION_CODE> (505)
PTNCS

>  <AMOUNT_CURRENT> (505)
33

$$$$
WAY-305232
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5379   -0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -0.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6759    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -0.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 15 18  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C12H17N3O3

>  <MolWeight> (506)
251.28168

>  <PCAT_CMPD_ID> (506)
WAY-305232

>  <CNC_ID> (506)
359396408

>  <transfer_container_id> (506)
PTN000000072

>  <COMPOUND_NUMBER> (506)
WAY-305232

>  <BAR_CODE_NO> (506)
3908470

>  <LOCATION_CODE> (506)
PTNCS

>  <AMOUNT_CURRENT> (506)
33.7

$$$$
WAY-305244
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.4483    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    2.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    3.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -2.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -2.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -3.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
 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  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C18H18N4O2

>  <MolWeight> (507)
322.36112

>  <PCAT_CMPD_ID> (507)
WAY-305244

>  <CNC_ID> (507)
359396420

>  <transfer_container_id> (507)
PTN000000072

>  <COMPOUND_NUMBER> (507)
WAY-305244

>  <BAR_CODE_NO> (507)
3908482

>  <LOCATION_CODE> (507)
PTNCS

>  <AMOUNT_CURRENT> (507)
33.7

$$$$
WAY-305270
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.4724    0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.2069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    1.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0379   -1.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621    1.5069    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
   -4.0379   -2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1655    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621   -0.1931    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  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
 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
 24 26  1  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> (508)
508

>  <Formula> (508)
C19H28N2O4S

>  <MolWeight> (508)
380.50162

>  <PCAT_CMPD_ID> (508)
WAY-305270

>  <CNC_ID> (508)
359396446

>  <transfer_container_id> (508)
PTN000000072

>  <COMPOUND_NUMBER> (508)
WAY-305270

>  <BAR_CODE_NO> (508)
3908517

>  <LOCATION_CODE> (508)
PTNCS

>  <AMOUNT_CURRENT> (508)
33.8

$$$$
WAY-305284
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.1517    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -0.3483    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
    1.6138   -0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -1.1690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034    1.3069    0.0000 C   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
    3.3931   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345    1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379    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  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
 20 21  1  0  0  0  0
 21 22  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> (509)
509

>  <Formula> (509)
C17H11NO3S

>  <MolWeight> (509)
309.33914

>  <PCAT_CMPD_ID> (509)
WAY-305284

>  <CNC_ID> (509)
359396460

>  <transfer_container_id> (509)
PTN000000072

>  <COMPOUND_NUMBER> (509)
WAY-305284

>  <BAR_CODE_NO> (509)
3908534

>  <LOCATION_CODE> (509)
PTNCS

>  <AMOUNT_CURRENT> (509)
33.7

$$$$
WAY-305303
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2206   -1.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.8295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -0.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206   -2.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240   -0.3191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.0050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206   -1.7191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5036   -1.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -2.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550   -2.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9068    0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7585   -0.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3553   -0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5036   -2.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7412    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102   -0.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3553    0.1361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656   -1.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    0.6671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277    0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2070    1.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1174    0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1174    2.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0070    0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0070    1.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1174    3.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9312    3.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    3.7154    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> (510)
510

>  <Formula> (510)
C20H22N2O5S

>  <MolWeight> (510)
402.46408

>  <PCAT_CMPD_ID> (510)
WAY-305303

>  <CNC_ID> (510)
359396479

>  <transfer_container_id> (510)
PTN000000072

>  <COMPOUND_NUMBER> (510)
WAY-305303

>  <BAR_CODE_NO> (510)
3908555

>  <LOCATION_CODE> (510)
PTNCS

>  <AMOUNT_CURRENT> (510)
30.6

$$$$
WAY-305320
csChFnd80/11182011152D

 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
   -3.3690    0.4310    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
    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
   -3.7655    1.1586    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
    3.4931   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -2.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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> (511)
511

>  <Formula> (511)
C19H19N3O2S

>  <MolWeight> (511)
353.43806

>  <PCAT_CMPD_ID> (511)
WAY-305320

>  <CNC_ID> (511)
359396496

>  <transfer_container_id> (511)
PTN000000072

>  <COMPOUND_NUMBER> (511)
WAY-305320

>  <BAR_CODE_NO> (511)
3908573

>  <LOCATION_CODE> (511)
PTNCS

>  <AMOUNT_CURRENT> (511)
33.4

$$$$
WAY-305329
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.9862   -0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -0.0828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0069   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310   -1.5034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4034    0.2552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5931    1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310    2.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276    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
  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
 14 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  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
  5  7  1  0  0  0  0
 10 11  1  0  0  0  0
 20 22  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (512)
512

>  <Formula> (512)
C22H28N2O3

>  <MolWeight> (512)
368.46932

>  <PCAT_CMPD_ID> (512)
WAY-305329

>  <CNC_ID> (512)
359396505

>  <transfer_container_id> (512)
PTN000000072

>  <COMPOUND_NUMBER> (512)
WAY-305329

>  <BAR_CODE_NO> (512)
3908587

>  <LOCATION_CODE> (512)
PTNCS

>  <AMOUNT_CURRENT> (512)
33.4

$$$$
WAY-305332
csChFnd80/11182011152D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.1822    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2178   -0.4258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2178    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114    0.0575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    0.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0489   -0.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9489   -0.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3803   -0.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3803    0.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489   -0.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9386   -0.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9386    0.4200    0.0000 C   0  0  0  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 13  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  6  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 11  2  0  0  0  0
  5  6  2  0  0  0  0
 12  7  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C11H13N3O

>  <MolWeight> (513)
203.24042

>  <PCAT_CMPD_ID> (513)
WAY-305332

>  <CNC_ID> (513)
359396508

>  <transfer_container_id> (513)
PTN000000072

>  <COMPOUND_NUMBER> (513)
WAY-305332

>  <BAR_CODE_NO> (513)
3908592

>  <LOCATION_CODE> (513)
PTNCS

>  <AMOUNT_CURRENT> (513)
33.1

$$$$
WAY-305333
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.3209   -0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312    0.2140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860    0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278   -1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450   -0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312    1.0381    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   -0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657    0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    1.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2071    1.0381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278    1.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   -1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657    1.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1692   -0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1795    1.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899    0.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308   -1.0101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170   -2.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899    1.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170   -0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412   -1.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6071    1.4519    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2343    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9481   -0.1722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6584    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  2  0  0  0  0
  9 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
 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
 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
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  8 13  2  0  0  0  0
 18 21  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C20H24ClN3O3S

>  <MolWeight> (514)
421.94086

>  <PCAT_CMPD_ID> (514)
WAY-305333

>  <CNC_ID> (514)
359396509

>  <transfer_container_id> (514)
PTN000000072

>  <COMPOUND_NUMBER> (514)
WAY-305333

>  <BAR_CODE_NO> (514)
3908593

>  <LOCATION_CODE> (514)
PTNCS

>  <AMOUNT_CURRENT> (514)
33.5

$$$$
WAY-305334
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.3500    0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    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  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  6  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 10  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  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 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
  3  5  1  0  0  0  0
 11 16  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C16H11NO3S

>  <MolWeight> (515)
297.32844

>  <PCAT_CMPD_ID> (515)
WAY-305334

>  <CNC_ID> (515)
359396510

>  <transfer_container_id> (515)
PTN000000072

>  <COMPOUND_NUMBER> (515)
WAY-305334

>  <BAR_CODE_NO> (515)
3908595

>  <LOCATION_CODE> (515)
PTNCS

>  <AMOUNT_CURRENT> (515)
33

$$$$
WAY-305338
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.8847    2.1092    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1182    2.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    2.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3086    2.0723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    2.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    2.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7694    2.0723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1182    4.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    4.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0030    2.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7694    4.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0030    4.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7694    6.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7215    0.0000 C   0  0  0  0  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  8  1  0  0  0  0
  7  3  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  2  2  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  2  0  0  0  0
 15  7  2  0  0  0  0
 16 10  2  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  1  0  0  0  0
  7 10  1  0  0  0  0
 19 20  2  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C15H14N2O3

>  <MolWeight> (516)
270.28326

>  <PCAT_CMPD_ID> (516)
WAY-305338

>  <CNC_ID> (516)
359396514

>  <transfer_container_id> (516)
PTN000000072

>  <COMPOUND_NUMBER> (516)
WAY-305338

>  <BAR_CODE_NO> (516)
3908602

>  <LOCATION_CODE> (516)
PTNCS

>  <AMOUNT_CURRENT> (516)
33.8

$$$$
WAY-305346
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.0276   -0.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965   -0.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -1.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -1.7092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.7161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965   -1.2954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -1.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    0.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    0.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -2.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586   -2.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -3.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -3.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.5908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    2.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    2.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    3.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    3.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    3.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  7 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  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
 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
  5  9  1  0  0  0  0
  8 11  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C22H20N6O

>  <MolWeight> (517)
384.4338

>  <PCAT_CMPD_ID> (517)
WAY-305346

>  <CNC_ID> (517)
359396522

>  <transfer_container_id> (517)
PTN000000072

>  <COMPOUND_NUMBER> (517)
WAY-305346

>  <BAR_CODE_NO> (517)
3908614

>  <LOCATION_CODE> (517)
PTNCS

>  <AMOUNT_CURRENT> (517)
33.1

$$$$
WAY-305374
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.2241    1.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    2.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    1.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310    1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    3.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    3.2408    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931    2.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552   -0.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1448    3.3097    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -1.8109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -0.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -2.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552   -1.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -3.5109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -2.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552   -4.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C13H10Cl2N2O2

>  <MolWeight> (518)
297.1367

>  <PCAT_CMPD_ID> (518)
WAY-305374

>  <CNC_ID> (518)
359396756

>  <transfer_container_id> (518)
PTN000000072

>  <COMPOUND_NUMBER> (518)
WAY-305374

>  <BAR_CODE_NO> (518)
3908646

>  <LOCATION_CODE> (518)
PTNCS

>  <AMOUNT_CURRENT> (518)
33.4

$$$$
WAY-305391
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.8780    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8780   -0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9987    0.5933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5952    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0297   -0.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5952   -0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5263   -0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3642    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3952   -0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1711   -0.0894    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496    0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1324    0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.0584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6703    1.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255    0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186   -1.5894    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8048    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2944   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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> (519)
519

>  <Formula> (519)
C15H12ClN3OS

>  <MolWeight> (519)
317.79328

>  <PCAT_CMPD_ID> (519)
WAY-305391

>  <CNC_ID> (519)
359396567

>  <transfer_container_id> (519)
PTN000000072

>  <COMPOUND_NUMBER> (519)
WAY-305391

>  <BAR_CODE_NO> (519)
3908664

>  <LOCATION_CODE> (519)
PTNCS

>  <AMOUNT_CURRENT> (519)
33.6

$$$$
WAY-305470
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0379    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -0.5276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862   -0.5276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138    0.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -2.2931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9621   -0.8690    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
  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  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
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5  8  1  0  0  0  0
 14 15  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C15H9Cl2NO2S2

>  <MolWeight> (520)
370.27346

>  <PCAT_CMPD_ID> (520)
WAY-305470

>  <CNC_ID> (520)
359396646

>  <transfer_container_id> (520)
PTN000000072

>  <COMPOUND_NUMBER> (520)
WAY-305470

>  <BAR_CODE_NO> (520)
3908749

>  <LOCATION_CODE> (520)
PTNCS

>  <AMOUNT_CURRENT> (520)
33.7

$$$$
WAY-305477
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.5034    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517    0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -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  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
 12 16  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C11H14N4S

>  <MolWeight> (521)
234.32066

>  <PCAT_CMPD_ID> (521)
WAY-305477

>  <CNC_ID> (521)
359396653

>  <transfer_container_id> (521)
PTN000000072

>  <COMPOUND_NUMBER> (521)
WAY-305477

>  <BAR_CODE_NO> (521)
3908758

>  <LOCATION_CODE> (521)
PTNCS

>  <AMOUNT_CURRENT> (521)
33.7

$$$$
WAY-305486
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.1673    1.4112    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0879    3.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322    4.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3407    4.3513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9668    2.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1673    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3842    2.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0879    2.3863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794    3.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057    6.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9668    3.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6552    1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4824    3.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7728    4.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4971    2.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    5.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7645    5.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7645    6.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    6.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794    2.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430    4.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430    1.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4941    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 13  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  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10 18  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  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  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  9  1  0  0  0  0
 21  9  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
 13 14  1  0  0  0  0
 19 10  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C18H18N2O4

>  <MolWeight> (522)
326.34652

>  <PCAT_CMPD_ID> (522)
WAY-305486

>  <CNC_ID> (522)
359396662

>  <transfer_container_id> (522)
PTN000000072

>  <COMPOUND_NUMBER> (522)
WAY-305486

>  <BAR_CODE_NO> (522)
3908770

>  <LOCATION_CODE> (522)
PTNCS

>  <AMOUNT_CURRENT> (522)
33.1

$$$$
WAY-305487
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.2966    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759    1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -0.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0552    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.6552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034    0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655   -1.2034    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
    3.5034   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -0.6448    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  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
  9 14  1  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
 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
 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
  9 12  1  0  0  0  0
 11 15  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C20H18BrN5OS

>  <MolWeight> (523)
456.35882

>  <PCAT_CMPD_ID> (523)
WAY-305487

>  <CNC_ID> (523)
359396663

>  <transfer_container_id> (523)
PTN000000072

>  <COMPOUND_NUMBER> (523)
WAY-305487

>  <BAR_CODE_NO> (523)
3908773

>  <LOCATION_CODE> (523)
PTNCS

>  <AMOUNT_CURRENT> (523)
33.2

$$$$
WAY-305506
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2000   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -1.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138   -1.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -2.5414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9379   -1.3034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3379   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    1.6517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -2.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -3.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0517   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    2.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897    3.1103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310    3.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  2  0  0  0  0
 17 25  1  0  0  0  0
 17 26  2  0  0  0  0
 18 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
  9 10  1  0  0  0  0
 14 19  1  0  0  0  0
 22 24  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C21H24N4O3S2

>  <MolWeight> (524)
444.57026

>  <PCAT_CMPD_ID> (524)
WAY-305506

>  <CNC_ID> (524)
359396682

>  <transfer_container_id> (524)
PTN000000072

>  <COMPOUND_NUMBER> (524)
WAY-305506

>  <BAR_CODE_NO> (524)
3908794

>  <LOCATION_CODE> (524)
PTNCS

>  <AMOUNT_CURRENT> (524)
33.7

$$$$
WAY-305508
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0860    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0860   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9446    0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8347   -0.8657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343   -1.0554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550    1.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    0.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347   -0.0657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140   -1.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929   -0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    2.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343    2.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0761   -2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4554   -2.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136    3.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1446    3.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -3.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140   -3.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860    3.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6347   -3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  7 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
 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
 18 21  2  0  0  0  0
  5  9  1  0  0  0  0
  8 11  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C15H15N5O

>  <MolWeight> (525)
281.3125

>  <PCAT_CMPD_ID> (525)
WAY-305508

>  <CNC_ID> (525)
359396684

>  <transfer_container_id> (525)
PTN000000072

>  <COMPOUND_NUMBER> (525)
WAY-305508

>  <BAR_CODE_NO> (525)
3908797

>  <LOCATION_CODE> (525)
PTNCS

>  <AMOUNT_CURRENT> (525)
33.4

$$$$
WAY-305526
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.7034    0.9517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828   -0.6310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    3.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -1.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241   -0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4138    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    4.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7897    1.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3931   -0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    3.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -3.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1276    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069    4.0759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724   -3.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1276   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1483   -2.9034    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  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
 18 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
 12 17  2  0  0  0  0
 19 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C17H16FNO6S

>  <MolWeight> (526)
381.3754432

>  <PCAT_CMPD_ID> (526)
WAY-305526

>  <CNC_ID> (526)
359396702

>  <transfer_container_id> (526)
PTN000000072

>  <COMPOUND_NUMBER> (526)
WAY-305526

>  <BAR_CODE_NO> (526)
3908819

>  <LOCATION_CODE> (526)
PTNCS

>  <AMOUNT_CURRENT> (526)
33.8

$$$$
WAY-305536
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.2307    0.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618    0.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    0.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169   -0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1687    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7790    0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5687    0.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307   -1.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928    1.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6135    0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549   -0.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169    1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3244   -0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3382   -1.8449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451   -0.9311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1451   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313    0.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8451   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1313    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8451    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5589   -0.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5486    0.7171    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  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
 20 23  1  0  0  0  0
 22 24  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> (527)
527

>  <Formula> (527)
C18H20ClN3O2

>  <MolWeight> (527)
345.8233

>  <PCAT_CMPD_ID> (527)
WAY-305536

>  <CNC_ID> (527)
359396712

>  <transfer_container_id> (527)
PTN000000072

>  <COMPOUND_NUMBER> (527)
WAY-305536

>  <BAR_CODE_NO> (527)
3908832

>  <LOCATION_CODE> (527)
PTNCS

>  <AMOUNT_CURRENT> (527)
33.4

$$$$
WAY-305543
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.2059    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869    0.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7279    0.0230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541   -0.5680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481   -0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059    0.9230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481    0.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181   -0.7510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3421   -0.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9081   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1829    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869   -0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9081    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1829   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2439    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    0.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659    0.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2439    0.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659    1.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2849    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2849    0.9230    0.0000 C   0  0  0  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 11  1  0  0  0  0
  6  1  2  0  0  0  0
  7 16  1  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
 14 11  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 15  1  0  0  0  0
 15  4  1  0  0  0  0
 16 20  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19  3  1  0  0  0  0
 20 14  1  0  0  0  0
 21 19  2  0  0  0  0
 22 19  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
  4 18  1  0  0  0  0
 25 24  2  0  0  0  0
  5  7  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C19H21N3O2S

>  <MolWeight> (528)
355.45394

>  <PCAT_CMPD_ID> (528)
WAY-305543

>  <CNC_ID> (528)
359396719

>  <transfer_container_id> (528)
PTN000000072

>  <COMPOUND_NUMBER> (528)
WAY-305543

>  <BAR_CODE_NO> (528)
3908843

>  <LOCATION_CODE> (528)
PTNCS

>  <AMOUNT_CURRENT> (528)
33.6

$$$$
WAY-305548-A
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.6621   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6621   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2690   -1.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0690   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    2.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8379    2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8379    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  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  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
 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
 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
  9 10  2  0  0  0  0
 15 16  1  0  0  0  0
 21 22  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C24H31N3O2

>  <MolWeight> (529)
393.52184

>  <PCAT_CMPD_ID> (529)
WAY-305548-A

>  <CNC_ID> (529)
359396724

>  <transfer_container_id> (529)
PTN000000072

>  <COMPOUND_NUMBER> (529)
WAY-305548-A

>  <BAR_CODE_NO> (529)
3908849

>  <LOCATION_CODE> (529)
PTNCS

>  <AMOUNT_CURRENT> (529)
33.5

$$$$
WAY-305552
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -1.4310   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    0.1828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4103    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -3.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -3.3586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4897   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6310    2.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4897   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    0.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    2.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7517    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  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
  5 12  1  0  0  0  0
  6 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
 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
 23 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
  9 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> (530)
530

>  <Formula> (530)
C23H20N2O3

>  <MolWeight> (530)
372.4165

>  <PCAT_CMPD_ID> (530)
WAY-305552

>  <CNC_ID> (530)
359396728

>  <transfer_container_id> (530)
PTN000000072

>  <COMPOUND_NUMBER> (530)
WAY-305552

>  <BAR_CODE_NO> (530)
3908853

>  <LOCATION_CODE> (530)
PTNCS

>  <AMOUNT_CURRENT> (530)
33.4

$$$$
WAY-305555
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.1448    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    1.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897   -0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4448    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -0.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966    1.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4448    1.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -0.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -1.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -0.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310   -0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793   -0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7345   -0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7345    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3931    0.6380    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
 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  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
  9 12  2  0  0  0  0
 11 14  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C19H21ClN2O3

>  <MolWeight> (531)
360.83464

>  <PCAT_CMPD_ID> (531)
WAY-305555

>  <CNC_ID> (531)
359396731

>  <transfer_container_id> (531)
PTN000000072

>  <COMPOUND_NUMBER> (531)
WAY-305555

>  <BAR_CODE_NO> (531)
3908856

>  <LOCATION_CODE> (531)
PTNCS

>  <AMOUNT_CURRENT> (531)
33.7

$$$$
WAY-305556
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.6863   -0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760   -0.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    0.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242   -1.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3243   -1.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829   -0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829   -0.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9830   -0.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242   -0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240    0.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -1.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2758   -0.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758   -0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137    0.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2240    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5620    1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2137    0.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -0.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8620    1.3314    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
 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
 20 23  1  0  0  0  0
 21 24  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> (532)
532

>  <Formula> (532)
C18H18ClNO4

>  <MolWeight> (532)
347.79282

>  <PCAT_CMPD_ID> (532)
WAY-305556

>  <CNC_ID> (532)
359396732

>  <transfer_container_id> (532)
PTN000000072

>  <COMPOUND_NUMBER> (532)
WAY-305556

>  <BAR_CODE_NO> (532)
3908857

>  <LOCATION_CODE> (532)
PTNCS

>  <AMOUNT_CURRENT> (532)
33.9

$$$$
WAY-305569
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3690    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -1.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483   -1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9483    0.1483    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
   -3.9483   -0.7690    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
    0.0310   -1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310    1.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    1.5414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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 11  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C17H17FN2O3

>  <MolWeight> (533)
316.3268832

>  <PCAT_CMPD_ID> (533)
WAY-305569

>  <CNC_ID> (533)
359396745

>  <transfer_container_id> (533)
PTN000000072

>  <COMPOUND_NUMBER> (533)
WAY-305569

>  <BAR_CODE_NO> (533)
3908873

>  <LOCATION_CODE> (533)
PTNCS

>  <AMOUNT_CURRENT> (533)
33.3

$$$$
WAY-305570
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.9000    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    0.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483   -0.4655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000    0.6655    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
  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
  8 12  1  0  0  0  0
 10 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
 13 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
 19 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
  7  9  1  0  0  0  0
 18 21  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C20H14ClFN2O2

>  <MolWeight> (534)
368.7887632

>  <PCAT_CMPD_ID> (534)
WAY-305570

>  <CNC_ID> (534)
359396746

>  <transfer_container_id> (534)
PTN000000072

>  <COMPOUND_NUMBER> (534)
WAY-305570

>  <BAR_CODE_NO> (534)
3908874

>  <LOCATION_CODE> (534)
PTNCS

>  <AMOUNT_CURRENT> (534)
33.1

$$$$
WAY-305575
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.5724   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -1.5828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6069   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -1.5828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276    1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379    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  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
 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
 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
 15 17  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C19H18N2O2S2

>  <MolWeight> (535)
370.48842

>  <PCAT_CMPD_ID> (535)
WAY-305575

>  <CNC_ID> (535)
359396751

>  <transfer_container_id> (535)
PTN000000072

>  <COMPOUND_NUMBER> (535)
WAY-305575

>  <BAR_CODE_NO> (535)
3908880

>  <LOCATION_CODE> (535)
PTNCS

>  <AMOUNT_CURRENT> (535)
33.6

$$$$
WAY-305579
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.1069    0.3897    0.0000 N   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
    0.8138    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -1.0690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -1.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.5897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7069    0.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793   -0.6207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6793   -1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    0.5586    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  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
  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
 11 15  2  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
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
  5  9  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (536)
536

>  <Formula> (536)
C14H15N3O3S

>  <MolWeight> (536)
305.3522

>  <PCAT_CMPD_ID> (536)
WAY-305579

>  <CNC_ID> (536)
359396755

>  <transfer_container_id> (536)
PTN000000072

>  <COMPOUND_NUMBER> (536)
WAY-305579

>  <BAR_CODE_NO> (536)
3908885

>  <LOCATION_CODE> (536)
PTNCS

>  <AMOUNT_CURRENT> (536)
33.7

$$$$
WAY-305586
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.1958    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375    0.8458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -1.0167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.4833    0.0000 C   0  0  0  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  8  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  9  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 15  9  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
 20 15  1  0  0  0  0
 21  8  2  0  0  0  0
 22  6  1  0  0  0  0
 23 10  1  0  0  0  0
 24 12  2  0  0  0  0
 25 28  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 24  1  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 27 26  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (537)
537

>  <Formula> (537)
C18H12F3N5OS

>  <MolWeight> (537)
403.3809896

>  <PCAT_CMPD_ID> (537)
WAY-305586

>  <CNC_ID> (537)
359396762

>  <transfer_container_id> (537)
PTN000000072

>  <COMPOUND_NUMBER> (537)
WAY-305586

>  <BAR_CODE_NO> (537)
3908892

>  <LOCATION_CODE> (537)
PTNCS

>  <AMOUNT_CURRENT> (537)
33.5

$$$$
WAY-305589
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.0483   -0.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828   -1.9655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -2.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -0.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4517   -1.1897    0.0000 C   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
    2.9448   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2862   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3931    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2862    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1690    1.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0172    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3517    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  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
  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
 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  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
 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
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (538)
538

>  <Formula> (538)
C20H19N3O3S

>  <MolWeight> (538)
381.44816

>  <PCAT_CMPD_ID> (538)
WAY-305589

>  <CNC_ID> (538)
359396765

>  <transfer_container_id> (538)
PTN000000072

>  <COMPOUND_NUMBER> (538)
WAY-305589

>  <BAR_CODE_NO> (538)
3908895

>  <LOCATION_CODE> (538)
PTNCS

>  <AMOUNT_CURRENT> (538)
33.1

$$$$
WAY-305596-A
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.0483    0.8759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    3.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    3.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    3.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    4.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    4.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -2.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034   -3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -3.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0931   -4.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -4.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -5.4069    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
 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
 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 10  1  0  0  0  0
 12 14  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (539)
539

>  <Formula> (539)
C20H23ClN2O3

>  <MolWeight> (539)
374.86122

>  <PCAT_CMPD_ID> (539)
WAY-305596-A

>  <CNC_ID> (539)
359396772

>  <transfer_container_id> (539)
PTN000000072

>  <COMPOUND_NUMBER> (539)
WAY-305596-A

>  <BAR_CODE_NO> (539)
3908902

>  <LOCATION_CODE> (539)
PTNCS

>  <AMOUNT_CURRENT> (539)
33.2

$$$$
WAY-305609-A
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0037   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1831   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8175   -0.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210   -0.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8175    1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4652   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486   -0.7968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4652    1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2652   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4555   -1.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2652    0.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790    1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8859    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8859   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6859    1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6859   -0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4997    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4997   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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  2  0  0  0  0
 13 15  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (540)
540

>  <Formula> (540)
C19H24N2O

>  <MolWeight> (540)
296.40666

>  <PCAT_CMPD_ID> (540)
WAY-305609-A

>  <CNC_ID> (540)
359396785

>  <transfer_container_id> (540)
PTN000000072

>  <COMPOUND_NUMBER> (540)
WAY-305609-A

>  <BAR_CODE_NO> (540)
3908915

>  <LOCATION_CODE> (540)
PTNCS

>  <AMOUNT_CURRENT> (540)
33.7

$$$$
WAY-305614
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.5624   -0.5100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4072   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382   -0.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244    0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618    0.4279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451    0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790    0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4790    0.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4790   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2928    0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2928   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
 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  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (541)
541

>  <Formula> (541)
C19H24N2

>  <MolWeight> (541)
280.40726

>  <PCAT_CMPD_ID> (541)
WAY-305614

>  <CNC_ID> (541)
359396790

>  <transfer_container_id> (541)
PTN000000072

>  <COMPOUND_NUMBER> (541)
WAY-305614

>  <BAR_CODE_NO> (541)
3908920

>  <LOCATION_CODE> (541)
PTNCS

>  <AMOUNT_CURRENT> (541)
33.1

$$$$
WAY-305618
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2517   -0.5966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2517    0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034   -0.9724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    0.7379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    1.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -2.8448    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    2.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -2.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    2.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345    2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  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
 19 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
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C17H18BrNO4S2

>  <MolWeight> (542)
444.36312

>  <PCAT_CMPD_ID> (542)
WAY-305618

>  <CNC_ID> (542)
359396794

>  <transfer_container_id> (542)
PTN000000072

>  <COMPOUND_NUMBER> (542)
WAY-305618

>  <BAR_CODE_NO> (542)
3908924

>  <LOCATION_CODE> (542)
PTNCS

>  <AMOUNT_CURRENT> (542)
33.2

$$$$
WAY-305621
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.3345   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -0.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276    0.7138    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
   -0.9034   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -1.3552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897   -1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -1.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862   -0.5172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5276   -0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    0.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -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  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
  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
 10 18  2  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  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 14  1  0  0  0  0
 22 23  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (543)
543

>  <Formula> (543)
C21H26ClN3O4S

>  <MolWeight> (543)
451.96684

>  <PCAT_CMPD_ID> (543)
WAY-305621

>  <CNC_ID> (543)
359396797

>  <transfer_container_id> (543)
PTN000000072

>  <COMPOUND_NUMBER> (543)
WAY-305621

>  <BAR_CODE_NO> (543)
3908927

>  <LOCATION_CODE> (543)
PTNCS

>  <AMOUNT_CURRENT> (543)
33.5

$$$$
WAY-305632
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.4690    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.1379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    0.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931    0.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    2.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    3.4414    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -1.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -1.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310   -2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   -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  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
 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  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
  9 12  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (544)
544

>  <Formula> (544)
C15H16BrN3O3S

>  <MolWeight> (544)
398.27484

>  <PCAT_CMPD_ID> (544)
WAY-305632

>  <CNC_ID> (544)
359396808

>  <transfer_container_id> (544)
PTN000000072

>  <COMPOUND_NUMBER> (544)
WAY-305632

>  <BAR_CODE_NO> (544)
3908938

>  <LOCATION_CODE> (544)
PTNCS

>  <AMOUNT_CURRENT> (544)
33.5

$$$$
WAY-305638
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.3552    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724   -0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    0.9793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345   -0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586   -1.2345    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
    3.1724    1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.2586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3828    0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069    0.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9517   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414    0.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9517   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    1.3793    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  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
 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  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
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C20H24N2O4S

>  <MolWeight> (545)
388.48056

>  <PCAT_CMPD_ID> (545)
WAY-305638

>  <CNC_ID> (545)
359396814

>  <transfer_container_id> (545)
PTN000000072

>  <COMPOUND_NUMBER> (545)
WAY-305638

>  <BAR_CODE_NO> (545)
3908945

>  <LOCATION_CODE> (545)
PTNCS

>  <AMOUNT_CURRENT> (545)
33.8

$$$$
WAY-321054
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.4167   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -2.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -3.3917    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  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  2  0  0  0  0
 12  7  2  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  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
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
  6  7  1  0  0  0  0
 16 17  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C17H23N3O

>  <MolWeight> (546)
285.38402

>  <PCAT_CMPD_ID> (546)
WAY-321054

>  <CNC_ID> (546)
359397185

>  <transfer_container_id> (546)
PTN000000075

>  <COMPOUND_NUMBER> (546)
WAY-321054

>  <BAR_CODE_NO> (546)
2562780

>  <LOCATION_CODE> (546)
PTNCS

>  <AMOUNT_CURRENT> (546)
32.8

$$$$
WAY-321080
csChFnd80/11182011152D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.5000   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.5000    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
    0.8000   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.8000    0.0000 S   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
    0.0000   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    1.9458    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
   -0.8958   -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  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  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13 18  2  0  0  0  0
 14  5  2  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 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
  9 11  1  0  0  0  0
 15 17  1  0  0  0  0
 13  4  1  0  0  0  0
  6 10  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C19H18N4S

>  <MolWeight> (547)
334.43802

>  <PCAT_CMPD_ID> (547)
WAY-321080

>  <CNC_ID> (547)
359397209

>  <transfer_container_id> (547)
PTN000000073

>  <COMPOUND_NUMBER> (547)
WAY-321080

>  <BAR_CODE_NO> (547)
2548109

>  <LOCATION_CODE> (547)
PTNCS

>  <AMOUNT_CURRENT> (547)
32.8

$$$$
WAY-321215
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0377   -0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795    0.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964   -0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795   -1.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416   -0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174    1.3800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998    0.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998   -1.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416   -1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9278    0.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1274    0.5318    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964    1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9278   -2.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0174   -0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2481    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1102    2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0174   -1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3343    2.3145    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  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
  7 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
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
  5  9  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C13H8BrNO2S

>  <MolWeight> (548)
322.17712

>  <PCAT_CMPD_ID> (548)
WAY-321215

>  <CNC_ID> (548)
359397343

>  <transfer_container_id> (548)
PTN000000074

>  <COMPOUND_NUMBER> (548)
WAY-321215

>  <BAR_CODE_NO> (548)
2551936

>  <LOCATION_CODE> (548)
PTNCS

>  <AMOUNT_CURRENT> (548)
32.4

$$$$
WAY-321228
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5500   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -2.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -1.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7000   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -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  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  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  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  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  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
  7  6  2  0  0  0  0
 17 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C15H16N2O2S

>  <MolWeight> (549)
288.36474

>  <PCAT_CMPD_ID> (549)
WAY-321228

>  <CNC_ID> (549)
359397356

>  <transfer_container_id> (549)
PTN000000076

>  <COMPOUND_NUMBER> (549)
WAY-321228

>  <BAR_CODE_NO> (549)
2569901

>  <LOCATION_CODE> (549)
PTNCS

>  <AMOUNT_CURRENT> (549)
32.2

$$$$
WAY-321433
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1625   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6458   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    1.5833    0.0000 C   0  0  0  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  7  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 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  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 22  1  0  0  0  0
  5  4  1  0  0  0  0
 14 16  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C18H15ClN2O2

>  <MolWeight> (550)
326.7769

>  <PCAT_CMPD_ID> (550)
WAY-321433

>  <CNC_ID> (550)
359397557

>  <transfer_container_id> (550)
PTN000000072

>  <COMPOUND_NUMBER> (550)
WAY-321433

>  <BAR_CODE_NO> (550)
2547529

>  <LOCATION_CODE> (550)
PTNCS

>  <AMOUNT_CURRENT> (550)
32.5

$$$$
WAY-321717
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.0750   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.3417    0.0000 S   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
    3.1000   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.9583    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
    1.0792    3.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -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  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  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  9  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
 15 19  2  0  0  0  0
 16 22  1  0  0  0  0
 17  3  2  0  0  0  0
 18 10  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 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 29  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 28  2  0  0  0  0
 31 27  2  0  0  0  0
  6  5  1  0  0  0  0
 12 11  2  0  0  0  0
  7 15  1  0  0  0  0
 31 30  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C23H23N3O4S

>  <MolWeight> (551)
437.51142

>  <PCAT_CMPD_ID> (551)
WAY-321717

>  <CNC_ID> (551)
359397832

>  <transfer_container_id> (551)
PTN000000072

>  <COMPOUND_NUMBER> (551)
WAY-321717

>  <BAR_CODE_NO> (551)
2546572

>  <LOCATION_CODE> (551)
PTNCS

>  <AMOUNT_CURRENT> (551)
32.3

$$$$
WAY-321884
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.8375    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.1708    0.0000 N   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
    0.9375    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.3000    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
   -0.2333   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.4125    0.0000 S   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
   -1.6208    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    2.8208    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  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  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  6  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  5  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C12H12N2O2S

>  <MolWeight> (552)
248.30088

>  <PCAT_CMPD_ID> (552)
WAY-321884

>  <CNC_ID> (552)
359397991

>  <transfer_container_id> (552)
PTN000000075

>  <COMPOUND_NUMBER> (552)
WAY-321884

>  <BAR_CODE_NO> (552)
2557059

>  <LOCATION_CODE> (552)
PTNCS

>  <AMOUNT_CURRENT> (552)
32.9

$$$$
WAY-322111
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.2542   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -3.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9542   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -4.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -2.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -3.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -5.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -4.4292    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  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  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15  7  2  0  0  0  0
 16 12  1  0  0  0  0
 17  2  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20  9  1  0  0  0  0
 21 14  2  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
  5 14  1  0  0  0  0
 16 13  2  0  0  0  0
 18 22  2  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C19H15N3OS

>  <MolWeight> (553)
333.4069

>  <PCAT_CMPD_ID> (553)
WAY-322111

>  <CNC_ID> (553)
359398213

>  <transfer_container_id> (553)
PTN000000076

>  <COMPOUND_NUMBER> (553)
WAY-322111

>  <BAR_CODE_NO> (553)
2570403

>  <LOCATION_CODE> (553)
PTNCS

>  <AMOUNT_CURRENT> (553)
32.8

$$$$
WAY-322427
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.4042   -1.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.8000    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
    2.8500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.2708    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
    7.8167   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0375    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
   -0.7208   -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 10  1  0  0  0  0
  4 14  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 19  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 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21  6  1  0  0  0  0
 22  9  1  0  0  0  0
 23  9  2  0  0  0  0
 24 21  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
 10 20  1  0  0  0  0
 26 28  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C19H27N3O5S

>  <MolWeight> (554)
409.49978

>  <PCAT_CMPD_ID> (554)
WAY-322427

>  <CNC_ID> (554)
359398519

>  <transfer_container_id> (554)
PTN000000075

>  <COMPOUND_NUMBER> (554)
WAY-322427

>  <BAR_CODE_NO> (554)
2556468

>  <LOCATION_CODE> (554)
PTNCS

>  <AMOUNT_CURRENT> (554)
32.5

$$$$
WAY-322699
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.1542   -9.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292  -10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -7.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2000  -12.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917  -11.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125   -5.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250  -10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -6.0167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500  -12.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -3.4917    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
   12.4292   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750  -11.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -2.8000    0.0000 C   0  0  0  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  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 11  2  0  0  0  0
 13  2  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 15  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 16  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
  6  4  1  0  0  0  0
 23 17  2  0  0  0  0
 12 21  1  0  0  0  0
 19 24  2  0  0  0  0
M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C21H18FN3

>  <MolWeight> (555)
331.3861232

>  <PCAT_CMPD_ID> (555)
WAY-322699

>  <CNC_ID> (555)
359398775

>  <transfer_container_id> (555)
PTN000000075

>  <COMPOUND_NUMBER> (555)
WAY-322699

>  <BAR_CODE_NO> (555)
2555947

>  <LOCATION_CODE> (555)
PTNCS

>  <AMOUNT_CURRENT> (555)
24.4

$$$$
WAY-322702
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.7447    2.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447    0.2810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2477    3.9123    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4464    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464    0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354    4.1614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039    4.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1192    5.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4718    5.7519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115    4.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447    6.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707    7.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9915    1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797    8.1600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204    5.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8201    7.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9221    7.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1755    6.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0603    9.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0119    8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354    7.8326    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 17  2  0  0  0  0
 14  2  1  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  5  1  0  0  0  0
 19  6  1  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 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
  3  6  1  0  0  0  0
 19 24  2  0  0  0  0
 16 13  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C22H21N3S

>  <MolWeight> (556)
359.48724

>  <PCAT_CMPD_ID> (556)
WAY-322702

>  <CNC_ID> (556)
359398778

>  <transfer_container_id> (556)
PTN000000075

>  <COMPOUND_NUMBER> (556)
WAY-322702

>  <BAR_CODE_NO> (556)
2562951

>  <LOCATION_CODE> (556)
PTNCS

>  <AMOUNT_CURRENT> (556)
32.1

$$$$
WAY-322714
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.5937    7.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774    5.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907    7.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7842    5.7852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0046    4.6174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3571    7.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    7.6812    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4045    3.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    6.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2425    2.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0697    9.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    2.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437    3.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6748    0.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3442    7.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9006    5.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9456    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5548   10.9829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6913    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907    9.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0360    4.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4490    6.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    9.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2904    5.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343    9.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3779   11.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4006    4.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0911   11.2749    0.0000 C   0  0  0  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  7  1  0  0  0  0
 10  8  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 10  2  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 23  1  0  0  0  0
 19 14  1  0  0  0  0
 20  3  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 11  2  0  0  0  0
 24  6  1  0  0  0  0
 25 21  1  0  0  0  0
 26 11  1  0  0  0  0
 27 29  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  2  0  0  0  0
  4  6  1  0  0  0  0
 27 18  2  0  0  0  0
 22 25  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C23H27N3O2S

>  <MolWeight> (557)
409.54438

>  <PCAT_CMPD_ID> (557)
WAY-322714

>  <CNC_ID> (557)
359398790

>  <transfer_container_id> (557)
PTN000000075

>  <COMPOUND_NUMBER> (557)
WAY-322714

>  <BAR_CODE_NO> (557)
2556535

>  <LOCATION_CODE> (557)
PTNCS

>  <AMOUNT_CURRENT> (557)
32.2

$$$$
WAY-323595
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.3125    0.0000 N   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
   -0.8000    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    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  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  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  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 16  1  0  0  0  0
 15  7  2  0  0  0  0
 16 12  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 14  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  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
  4  3  1  0  0  0  0
 25 23  2  0  0  0  0
 10 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C18H17N5OS

>  <MolWeight> (558)
351.42548

>  <PCAT_CMPD_ID> (558)
WAY-323595

>  <CNC_ID> (558)
359399290

>  <transfer_container_id> (558)
PTN000000072

>  <COMPOUND_NUMBER> (558)
WAY-323595

>  <BAR_CODE_NO> (558)
2547058

>  <LOCATION_CODE> (558)
PTNCS

>  <AMOUNT_CURRENT> (558)
32.5

$$$$
WAY-324875
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.7792   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500   -3.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -2.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -5.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.5792   -2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625   -6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -8.9500    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  2  0  0  0  0
  6  7  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  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  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 18  2  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  2  0  0  0  0
 22 12  1  0  0  0  0
 23 19  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
  3  5  1  0  0  0  0
 17 16  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C19H19N3O3S

>  <MolWeight> (559)
369.43746

>  <PCAT_CMPD_ID> (559)
WAY-324875

>  <CNC_ID> (559)
359399291

>  <transfer_container_id> (559)
PTN000000072

>  <COMPOUND_NUMBER> (559)
WAY-324875

>  <BAR_CODE_NO> (559)
2547241

>  <LOCATION_CODE> (559)
PTNCS

>  <AMOUNT_CURRENT> (559)
32.7

$$$$
WAY-325080
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5029   -0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1721   -0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3237   -0.1071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263   -0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904   -0.7363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029   -0.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3529   -0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2404    0.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471    0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8388   -0.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612   -0.5113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5904    0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7529    0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4612    0.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029    0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7779    1.6262    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9721    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7763   -1.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3596   -0.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1763   -1.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7596   -0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471   -1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0346    1.1887    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  7  1  0  0  0  0
  9  2  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  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  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 19  2  0  0  0  0
 23 20  2  0  0  0  0
 24 21  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
  4  2  2  0  0  0  0
 14 15  1  0  0  0  0
 26 23  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C22H15FN2O2

>  <MolWeight> (560)
358.3651032

>  <PCAT_CMPD_ID> (560)
WAY-325080

>  <CNC_ID> (560)
359399294

>  <transfer_container_id> (560)
PTN000000072

>  <COMPOUND_NUMBER> (560)
WAY-325080

>  <BAR_CODE_NO> (560)
2545724

>  <LOCATION_CODE> (560)
PTNCS

>  <AMOUNT_CURRENT> (560)
32.4

$$$$
WAY-326356
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.4917   -6.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -2.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -4.3292    0.0000 C   0  0  3  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
   -0.6458   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -3.5500    0.0000 N   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
    1.5417   -8.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   10.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792  -12.6292    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  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  2  0  0  0  0
 15 24  2  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 13  2  0  0  0  0
 20 12  2  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 20  1  0  0  0  0
 25 15  1  0  0  0  0
 26 25  1  0  0  0  0
  5  4  1  0  0  0  0
 15 23  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C18H16BrN3O3S

>  <MolWeight> (561)
434.30694

>  <PCAT_CMPD_ID> (561)
WAY-326356

>  <CNC_ID> (561)
359399297

>  <transfer_container_id> (561)
PTN000000072

>  <COMPOUND_NUMBER> (561)
WAY-326356

>  <BAR_CODE_NO> (561)
2547275

>  <LOCATION_CODE> (561)
PTNCS

>  <AMOUNT_CURRENT> (561)
32.5

$$$$
WAY-382945
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.3167   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -3.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -2.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -4.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -5.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -5.1792    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  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  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 10  1  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 14  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
  7  5  1  0  0  0  0
 12 11  2  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (562)
562

>  <Formula> (562)
C15H11ClN2O2S2

>  <MolWeight> (562)
350.84304

>  <PCAT_CMPD_ID> (562)
WAY-382945

>  <CNC_ID> (562)
359399367

>  <transfer_container_id> (562)
PTN000000072

>  <COMPOUND_NUMBER> (562)
WAY-382945

>  <BAR_CODE_NO> (562)
2545564

>  <LOCATION_CODE> (562)
PTNCS

>  <AMOUNT_CURRENT> (562)
32.2

$$$$
WAY-382959
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.0667    4.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000    2.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    6.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    9.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292    9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125    5.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292    4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250    7.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1792    9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    7.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   12.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375    7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917    9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    8.4250    0.0000 C   0  0  0  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  8  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  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  9  1  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 11  1  0  0  0  0
 17  4  2  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  7  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  8  1  0  0  0  0
 26 24  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
 12  7  2  0  0  0  0
 28 22  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C19H17ClN2O5S2

>  <MolWeight> (563)
452.93168

>  <PCAT_CMPD_ID> (563)
WAY-382959

>  <CNC_ID> (563)
359399381

>  <transfer_container_id> (563)
PTN000000072

>  <COMPOUND_NUMBER> (563)
WAY-382959

>  <BAR_CODE_NO> (563)
2545684

>  <LOCATION_CODE> (563)
PTNCS

>  <AMOUNT_CURRENT> (563)
32.1

$$$$
WAY-382961
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.4930    0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6861   -0.0796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0447   -0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7447    0.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344   -0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1447    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7930   -1.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8516   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5516    1.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861   -1.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447    0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    1.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1033    0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2139    0.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0139    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2346   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6139    1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0346   -0.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3967    1.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2346   -1.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3932    0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0346   -1.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6139   -0.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725    0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104   -2.0796    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
  6 12  2  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  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  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C21H19NO4

>  <MolWeight> (564)
349.37986

>  <PCAT_CMPD_ID> (564)
WAY-382961

>  <CNC_ID> (564)
359399383

>  <transfer_container_id> (564)
PTN000000072

>  <COMPOUND_NUMBER> (564)
WAY-382961

>  <BAR_CODE_NO> (564)
2545686

>  <LOCATION_CODE> (564)
PTNCS

>  <AMOUNT_CURRENT> (564)
32.3

$$$$
WAY-383071
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.8625   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.8292    0.0000 S   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
    0.1750   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.7542    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  2  0  0  0  0
  5  3  2  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  7  1  0  0  0  0
 10  8  1  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  1  1  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 15  2  0  0  0  0
 19 16  2  0  0  0  0
  4  5  1  0  0  0  0
  9 10  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C12H12N4S3

>  <MolWeight> (565)
308.44548

>  <PCAT_CMPD_ID> (565)
WAY-383071

>  <CNC_ID> (565)
359399396

>  <transfer_container_id> (565)
PTN000000072

>  <COMPOUND_NUMBER> (565)
WAY-383071

>  <BAR_CODE_NO> (565)
2545639

>  <LOCATION_CODE> (565)
PTNCS

>  <AMOUNT_CURRENT> (565)
32.6

$$$$
WAY-383241
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.7667   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.0167    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
    0.7667   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    1.4750    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
    1.4875    1.8958    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  3  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  4  2  0  0  0  0
  9  6  2  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  7  1  0  0  0  0
 14 13  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 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  2  0  0  0  0
 21 14  1  0  0  0  0
 22 20  1  0  0  0  0
  2  4  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C16H21N3O2S

>  <MolWeight> (566)
319.42184

>  <PCAT_CMPD_ID> (566)
WAY-383241

>  <CNC_ID> (566)
359399402

>  <transfer_container_id> (566)
PTN000000072

>  <COMPOUND_NUMBER> (566)
WAY-383241

>  <BAR_CODE_NO> (566)
2545651

>  <LOCATION_CODE> (566)
PTNCS

>  <AMOUNT_CURRENT> (566)
32.2

$$$$
WAY-383242
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.7667   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.0167    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
    0.7667   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    2.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.6458    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
    0.7750    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -4.3167    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  3  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  4  2  0  0  0  0
  9  6  2  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  7  1  0  0  0  0
 14 18  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 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 12  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
  2  4  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C16H20ClN3O2S

>  <MolWeight> (567)
353.8669

>  <PCAT_CMPD_ID> (567)
WAY-383242

>  <CNC_ID> (567)
359399403

>  <transfer_container_id> (567)
PTN000000072

>  <COMPOUND_NUMBER> (567)
WAY-383242

>  <BAR_CODE_NO> (567)
2545652

>  <LOCATION_CODE> (567)
PTNCS

>  <AMOUNT_CURRENT> (567)
32.5

$$$$
WAY-383243
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.8542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -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  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 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 11  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
  2  4  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C15H19N3O2S

>  <MolWeight> (568)
305.39526

>  <PCAT_CMPD_ID> (568)
WAY-383243

>  <CNC_ID> (568)
359399404

>  <transfer_container_id> (568)
PTN000000072

>  <COMPOUND_NUMBER> (568)
WAY-383243

>  <BAR_CODE_NO> (568)
2545653

>  <LOCATION_CODE> (568)
PTNCS

>  <AMOUNT_CURRENT> (568)
32.8

$$$$
WAY-383247
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.5750   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -3.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -4.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -4.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -3.5792    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  1  1  0  0  0  0
  5  4  2  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  5  1  0  0  0  0
 10  9  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 15  1  0  0  0  0
  6  7  1  0  0  0  0
  5  3  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C10H8N4OS

>  <MolWeight> (569)
232.26172

>  <PCAT_CMPD_ID> (569)
WAY-383247

>  <CNC_ID> (569)
359399408

>  <transfer_container_id> (569)
PTN000000072

>  <COMPOUND_NUMBER> (569)
WAY-383247

>  <BAR_CODE_NO> (569)
2545657

>  <LOCATION_CODE> (569)
PTNCS

>  <AMOUNT_CURRENT> (569)
32.9

$$$$
WAY-383250
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.3500   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -4.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -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  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  6  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 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
  8  5  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C12H18N2

>  <MolWeight> (570)
190.28472

>  <PCAT_CMPD_ID> (570)
WAY-383250

>  <CNC_ID> (570)
359399411

>  <transfer_container_id> (570)
PTN000000072

>  <COMPOUND_NUMBER> (570)
WAY-383250

>  <BAR_CODE_NO> (570)
2545660

>  <LOCATION_CODE> (570)
PTNCS

>  <AMOUNT_CURRENT> (570)
32.8

$$$$
WAY-383336
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.1136   -2.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791   -2.8095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481   -2.8095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136   -1.3095    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791   -3.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481   -3.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481   -0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136   -4.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8446   -4.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174   -4.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481    0.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174    0.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136    0.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174    1.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864    2.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864    3.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519    4.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174    4.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864    5.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
  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
 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
  6  8  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C15H17N3O2S

>  <MolWeight> (571)
303.37938

>  <PCAT_CMPD_ID> (571)
WAY-383336

>  <CNC_ID> (571)
359399417

>  <transfer_container_id> (571)
PTN000000072

>  <COMPOUND_NUMBER> (571)
WAY-383336

>  <BAR_CODE_NO> (571)
2545545

>  <LOCATION_CODE> (571)
PTNCS

>  <AMOUNT_CURRENT> (571)
32.5

$$$$
WAY-383339
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   11.3042   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125   -7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792  -11.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -3.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542  -11.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875  -13.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -7.7750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.7417  -13.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417  -16.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    0.0583    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 14  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9 19  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  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 16 13  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C14H10Cl2N2O3

>  <MolWeight> (572)
325.1468

>  <PCAT_CMPD_ID> (572)
WAY-383339

>  <CNC_ID> (572)
359399420

>  <transfer_container_id> (572)
PTN000000072

>  <COMPOUND_NUMBER> (572)
WAY-383339

>  <BAR_CODE_NO> (572)
2545548

>  <LOCATION_CODE> (572)
PTNCS

>  <AMOUNT_CURRENT> (572)
32.7

$$$$
WAY-383342
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8063    2.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    3.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065    2.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1100    1.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    1.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0166    2.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8033    4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3135    1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6993    6.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7174    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0008    2.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0279    0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010    6.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4371    0.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4160    2.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1259    1.2479    0.0000 C   0  0  0  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  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11 15  2  0  0  0  0
 12  8  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 12  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
 11  4  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
C15H15NO3

>  <MolWeight> (573)
257.2845

>  <PCAT_CMPD_ID> (573)
WAY-383342

>  <CNC_ID> (573)
359399423

>  <transfer_container_id> (573)
PTN000000072

>  <COMPOUND_NUMBER> (573)
WAY-383342

>  <BAR_CODE_NO> (573)
2545536

>  <LOCATION_CODE> (573)
PTNCS

>  <AMOUNT_CURRENT> (573)
32.6

$$$$
WAY-383345
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.7750   -3.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -2.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -4.5042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.2250    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
    1.5042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -4.0042    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  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  8 14  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  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 17  2  0  0  0  0
 22 17  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
  5  8  2  0  0  0  0
  6  3  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C18H19FN2O3S2

>  <MolWeight> (574)
394.4834632

>  <PCAT_CMPD_ID> (574)
WAY-383345

>  <CNC_ID> (574)
359399426

>  <transfer_container_id> (574)
PTN000000072

>  <COMPOUND_NUMBER> (574)
WAY-383345

>  <BAR_CODE_NO> (574)
2545539

>  <LOCATION_CODE> (574)
PTNCS

>  <AMOUNT_CURRENT> (574)
32.7

$$$$
WAY-383380
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.1125   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.0292    0.0000 O   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
   -2.3708    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.4542    0.0000 N   0  0  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
   -2.7500    0.7208    0.0000 C   0  0  0  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  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  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  3  2  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
 10  9  1  0  0  0  0
  7  5  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C12H11N3O2S

>  <MolWeight> (575)
261.29964

>  <PCAT_CMPD_ID> (575)
WAY-383380

>  <CNC_ID> (575)
359399460

>  <transfer_container_id> (575)
PTN000000072

>  <COMPOUND_NUMBER> (575)
WAY-383380

>  <BAR_CODE_NO> (575)
2545579

>  <LOCATION_CODE> (575)
PTNCS

>  <AMOUNT_CURRENT> (575)
32.5

$$$$
WAY-383385
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0333   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -1.4292    0.0000 S   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
   -2.3958   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.4500    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
    0.7875   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -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  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  7  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  8  2  0  0  0  0
 13  6  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  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 18  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
 10  9  1  0  0  0  0
  3  6  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C17H16N2O3S2

>  <MolWeight> (576)
360.45054

>  <PCAT_CMPD_ID> (576)
WAY-383385

>  <CNC_ID> (576)
359399465

>  <transfer_container_id> (576)
PTN000000072

>  <COMPOUND_NUMBER> (576)
WAY-383385

>  <BAR_CODE_NO> (576)
2545584

>  <LOCATION_CODE> (576)
PTNCS

>  <AMOUNT_CURRENT> (576)
32.9

$$$$
WAY-383395
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.7500   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -0.3500    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
    1.0500   -1.2667    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
    2.2500    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    1.2958    0.0000 C   0  0  0  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  9  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  3  2  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  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  5  1  0  0  0  0
 20  6  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
  4  6  1  0  0  0  0
 12 10  2  0  0  0  0
  9 18  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (577)
577

>  <Formula> (577)
C16H18N6S

>  <MolWeight> (577)
326.41932

>  <PCAT_CMPD_ID> (577)
WAY-383395

>  <CNC_ID> (577)
359399475

>  <transfer_container_id> (577)
PTN000000072

>  <COMPOUND_NUMBER> (577)
WAY-383395

>  <BAR_CODE_NO> (577)
2545610

>  <LOCATION_CODE> (577)
PTNCS

>  <AMOUNT_CURRENT> (577)
32.9

$$$$
WAY-383404
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.7042   -5.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -7.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -7.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -6.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375  -12.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625  -11.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -3.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167  -11.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5042  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750  -12.8500    0.0000 C   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  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 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  2  0  0  0  0
 11  3  2  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  8  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  9  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
  2  4  2  0  0  0  0
 17 10  1  0  0  0  0
M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C15H17N3O3S

>  <MolWeight> (578)
319.37878

>  <PCAT_CMPD_ID> (578)
WAY-383404

>  <CNC_ID> (578)
359399484

>  <transfer_container_id> (578)
PTN000000072

>  <COMPOUND_NUMBER> (578)
WAY-383404

>  <BAR_CODE_NO> (578)
2545608

>  <LOCATION_CODE> (578)
PTNCS

>  <AMOUNT_CURRENT> (578)
32.3

$$$$
WAY-383407
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.6167   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792  -11.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042  -12.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542  -12.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -4.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667  -11.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125  -11.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792  -14.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667  -14.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292  -15.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    6.6667    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  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 19  1  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 16  1  0  0  0  0
 13 11  2  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  8  2  0  0  0  0
 18 10  2  0  0  0  0
 19 21  1  0  0  0  0
 20 16  1  0  0  0  0
 21 10  1  0  0  0  0
 22 13  1  0  0  0  0
 23  5  2  0  0  0  0
 24  6  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  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
 20  7  2  0  0  0  0
  6  5  1  0  0  0  0
 27 28  2  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C25H17NO5

>  <MolWeight> (579)
411.40618

>  <PCAT_CMPD_ID> (579)
WAY-383407

>  <CNC_ID> (579)
359399487

>  <transfer_container_id> (579)
PTN000000072

>  <COMPOUND_NUMBER> (579)
WAY-383407

>  <BAR_CODE_NO> (579)
2545671

>  <LOCATION_CODE> (579)
PTNCS

>  <AMOUNT_CURRENT> (579)
32.3

$$$$
WAY-383767
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.8750   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917    1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125    1.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -4.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.9750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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 10  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  2  0  0  0  0
 10 14  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  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 17  1  0  0  0  0
 19 17  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 12  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (580)
580

>  <Formula> (580)
C15H12Cl2N2O3

>  <MolWeight> (580)
339.17338

>  <PCAT_CMPD_ID> (580)
WAY-383767

>  <CNC_ID> (580)
359399823

>  <transfer_container_id> (580)
PTN000000072

>  <COMPOUND_NUMBER> (580)
WAY-383767

>  <BAR_CODE_NO> (580)
2545914

>  <LOCATION_CODE> (580)
PTNCS

>  <AMOUNT_CURRENT> (580)
32.8

$$$$
WAY-383771
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6792   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6875   -1.6125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7417   -1.7792    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
   10.8042   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   -5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2667   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9750  -10.2167    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  2  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  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  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  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
 10 11  1  0  0  0  0
  6  4  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C16H17NO3

>  <MolWeight> (581)
271.31108

>  <PCAT_CMPD_ID> (581)
WAY-383771

>  <CNC_ID> (581)
359399827

>  <transfer_container_id> (581)
PTN000000072

>  <COMPOUND_NUMBER> (581)
WAY-383771

>  <BAR_CODE_NO> (581)
2545918

>  <LOCATION_CODE> (581)
PTNCS

>  <AMOUNT_CURRENT> (581)
29.7

$$$$
WAY-383796
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.1375   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500  -12.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4365    5.9968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -5.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000  -11.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000  -11.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625   -3.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042  -14.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167  -14.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625  -15.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625  -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  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 11  3  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14  7  1  0  0  0  0
 15 23  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18 10  2  0  0  0  0
 19  7  2  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 12  1  0  0  0  0
 24 26  2  0  0  0  0
 25 18  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28  5  2  0  0  0  0
 29  6  2  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
  9 25  2  0  0  0  0
  5  6  1  0  0  0  0
 31 30  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (582)
582

>  <Formula> (582)
C24H14N2O5

>  <MolWeight> (582)
410.37836

>  <PCAT_CMPD_ID> (582)
WAY-383796

>  <CNC_ID> (582)
359399852

>  <transfer_container_id> (582)
PTN000000072

>  <COMPOUND_NUMBER> (582)
WAY-383796

>  <BAR_CODE_NO> (582)
2545848

>  <LOCATION_CODE> (582)
PTNCS

>  <AMOUNT_CURRENT> (582)
32.3

$$$$
WAY-383820
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.4917   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -3.3417    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
    2.1792   -3.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -3.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -0.9625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -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  2  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13 22  1  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 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 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
  6  5  1  0  0  0  0
  9  4  1  0  0  0  0
 17 18  2  0  0  0  0
 13 21  2  0  0  0  0
M  END
>  <Mol_ID> (583)
583

>  <Formula> (583)
C17H13ClN4OS

>  <MolWeight> (583)
356.82932

>  <PCAT_CMPD_ID> (583)
WAY-383820

>  <CNC_ID> (583)
359399873

>  <transfer_container_id> (583)
PTN000000072

>  <COMPOUND_NUMBER> (583)
WAY-383820

>  <BAR_CODE_NO> (583)
2545862

>  <LOCATION_CODE> (583)
PTNCS

>  <AMOUNT_CURRENT> (583)
32.4

$$$$
WAY-383468
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1542   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -5.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -6.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -4.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -6.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -8.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -7.8792    0.0000 Cl  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  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  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
  5  2  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (584)
584

>  <Formula> (584)
C13H12ClN3O3

>  <MolWeight> (584)
293.70568

>  <PCAT_CMPD_ID> (584)
WAY-383468

>  <CNC_ID> (584)
359399531

>  <transfer_container_id> (584)
PTN000000072

>  <COMPOUND_NUMBER> (584)
WAY-383468

>  <BAR_CODE_NO> (584)
2546040

>  <LOCATION_CODE> (584)
PTNCS

>  <AMOUNT_CURRENT> (584)
32.1

$$$$
WAY-383474
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.2625   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -2.6542    0.0000 N   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
    4.1125   -4.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -3.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -7.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.9375    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  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 14  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  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 20  1  0  0  0  0
 26 25  1  0  0  0  0
  7  9  1  0  0  0  0
  6  3  2  0  0  0  0
 26 23  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (585)
585

>  <Formula> (585)
C19H17FN2O2S2

>  <MolWeight> (585)
388.4788832

>  <PCAT_CMPD_ID> (585)
WAY-383474

>  <CNC_ID> (585)
359399537

>  <transfer_container_id> (585)
PTN000000072

>  <COMPOUND_NUMBER> (585)
WAY-383474

>  <BAR_CODE_NO> (585)
2546028

>  <LOCATION_CODE> (585)
PTNCS

>  <AMOUNT_CURRENT> (585)
32.5

$$$$
WAY-383479
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5167   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -4.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -4.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -5.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -5.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -2.8000    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  5  1  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  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16  4  2  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  2  0  0  0  0
 20 15  2  0  0  0  0
 21 11  1  0  0  0  0
 22 21  2  0  0  0  0
 17 14  2  0  0  0  0
 16 22  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C17H13ClN2O2

>  <MolWeight> (586)
312.75032

>  <PCAT_CMPD_ID> (586)
WAY-383479

>  <CNC_ID> (586)
359399542

>  <transfer_container_id> (586)
PTN000000072

>  <COMPOUND_NUMBER> (586)
WAY-383479

>  <BAR_CODE_NO> (586)
2546033

>  <LOCATION_CODE> (586)
PTNCS

>  <AMOUNT_CURRENT> (586)
32.9

$$$$
WAY-383501
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.8101   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059    1.3762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184    0.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101    1.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309    0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3309   -0.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9316   -0.8530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184    2.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0434   -0.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0774   -0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5316   -0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3899    0.6637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601   -1.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3809    2.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8184    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316   -1.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191   -0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7816   -1.5655    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  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8 11  3  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11 19  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  7  2  0  0  0  0
 15  2  1  0  0  0  0
 16  4  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 17  1  0  0  0  0
 21 18  2  0  0  0  0
  5  2  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C14H12N4O3

>  <MolWeight> (587)
284.27008

>  <PCAT_CMPD_ID> (587)
WAY-383501

>  <CNC_ID> (587)
359399571

>  <transfer_container_id> (587)
PTN000000072

>  <COMPOUND_NUMBER> (587)
WAY-383501

>  <BAR_CODE_NO> (587)
2546283

>  <LOCATION_CODE> (587)
PTNCS

>  <AMOUNT_CURRENT> (587)
33

$$$$
WAY-383514
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0875    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.8125    0.0000 C   0  0  3  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
   -1.0708    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.1125    0.0000 O   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
    2.3792    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.7708    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  2  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  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  1  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 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18  3  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 10  1  0  0  0  0
 24 13  2  0  0  0  0
 25 14  1  0  0  0  0
 26 25  2  0  0  0  0
  7 14  2  0  0  0  0
 19 21  1  0  0  0  0
 24 26  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C20H16ClN3O2

>  <MolWeight> (588)
365.81294

>  <PCAT_CMPD_ID> (588)
WAY-383514

>  <CNC_ID> (588)
359399584

>  <transfer_container_id> (588)
PTN000000072

>  <COMPOUND_NUMBER> (588)
WAY-383514

>  <BAR_CODE_NO> (588)
2546359

>  <LOCATION_CODE> (588)
PTNCS

>  <AMOUNT_CURRENT> (588)
32.2

$$$$
WAY-383531
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8000   -3.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -4.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -4.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -3.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -6.8042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -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  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
 24 13  1  0  0  0  0
  5  3  1  0  0  0  0
 11 20  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C17H15ClN4OS

>  <MolWeight> (589)
358.8452

>  <PCAT_CMPD_ID> (589)
WAY-383531

>  <CNC_ID> (589)
359399601

>  <transfer_container_id> (589)
PTN000000072

>  <COMPOUND_NUMBER> (589)
WAY-383531

>  <BAR_CODE_NO> (589)
2546431

>  <LOCATION_CODE> (589)
PTNCS

>  <AMOUNT_CURRENT> (589)
29.9

$$$$
WAY-383557
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.7708   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -3.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    3.0458    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
   -5.2708   -2.5667    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  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  2  1  0  0  0  0
 12  4  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 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  9  1  0  0  0  0
 21 10  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  2  0  0  0  0
  2  4  1  0  0  0  0
  9 10  2  0  0  0  0
 25 24  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C18H16N4OS2

>  <MolWeight> (590)
368.47584

>  <PCAT_CMPD_ID> (590)
WAY-383557

>  <CNC_ID> (590)
359399627

>  <transfer_container_id> (590)
PTN000000072

>  <COMPOUND_NUMBER> (590)
WAY-383557

>  <BAR_CODE_NO> (590)
2546524

>  <LOCATION_CODE> (590)
PTNCS

>  <AMOUNT_CURRENT> (590)
32.6

$$$$
WAY-383585
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.5928    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1894    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6376    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3894   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307   -0.6310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7376    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2376    1.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0894    1.3724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4894   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3376   -1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7894    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9376   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6934    1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106    2.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6934    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2727   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2727   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4727   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4727   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106    0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106   -0.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5106   -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
  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
 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
 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
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C20H19N3O3S2

>  <MolWeight> (591)
413.51316

>  <PCAT_CMPD_ID> (591)
WAY-383585

>  <CNC_ID> (591)
359399655

>  <transfer_container_id> (591)
PTN000000072

>  <COMPOUND_NUMBER> (591)
WAY-383585

>  <BAR_CODE_NO> (591)
2545677

>  <LOCATION_CODE> (591)
PTNCS

>  <AMOUNT_CURRENT> (591)
32.3

$$$$
WAY-383602
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.4417   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.0250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2500   -3.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7458   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -4.6167    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  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  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C10H18N2S

>  <MolWeight> (592)
198.32832

>  <PCAT_CMPD_ID> (592)
WAY-383602

>  <CNC_ID> (592)
359399672

>  <transfer_container_id> (592)
PTN000000072

>  <COMPOUND_NUMBER> (592)
WAY-383602

>  <BAR_CODE_NO> (592)
2545728

>  <LOCATION_CODE> (592)
PTNCS

>  <AMOUNT_CURRENT> (592)
32.4

$$$$
WAY-383607
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    8.3250   -5.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -4.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -5.8667    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
    5.7500   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -6.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -5.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -6.4250    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
    4.5000   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -6.2667    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  2  2  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  7  1  0  0  0  0
  9  1  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 12  1  0  0  0  0
 14  8  2  0  0  0  0
 15 13  2  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
  5  4  1  0  0  0  0
 11 15  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C13H12N4S

>  <MolWeight> (593)
256.32618

>  <PCAT_CMPD_ID> (593)
WAY-383607

>  <CNC_ID> (593)
359399677

>  <transfer_container_id> (593)
PTN000000072

>  <COMPOUND_NUMBER> (593)
WAY-383607

>  <BAR_CODE_NO> (593)
2545733

>  <LOCATION_CODE> (593)
PTNCS

>  <AMOUNT_CURRENT> (593)
32.4

$$$$
WAY-383609
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.2500   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.9042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.7292    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 10  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  5  2  0  0  0  0
  8  1  1  0  0  0  0
  9 11  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  7  1  0  0  0  0
 14 11  2  0  0  0  0
 15  3  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 13  2  0  0  0  0
 20 13  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 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
  2  4  1  0  0  0  0
  9  7  1  0  0  0  0
 22 26  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C20H14ClN3O2

>  <MolWeight> (594)
363.79706

>  <PCAT_CMPD_ID> (594)
WAY-383609

>  <CNC_ID> (594)
359399679

>  <transfer_container_id> (594)
PTN000000072

>  <COMPOUND_NUMBER> (594)
WAY-383609

>  <BAR_CODE_NO> (594)
2545735

>  <LOCATION_CODE> (594)
PTNCS

>  <AMOUNT_CURRENT> (594)
32.6

$$$$
WAY-383719
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0167   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -3.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -4.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -3.8625    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  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  5  2  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 12  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  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
  6  7  1  0  0  0  0
 18 19  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C16H14N2O

>  <MolWeight> (595)
250.29516

>  <PCAT_CMPD_ID> (595)
WAY-383719

>  <CNC_ID> (595)
359399775

>  <transfer_container_id> (595)
PTN000000072

>  <COMPOUND_NUMBER> (595)
WAY-383719

>  <BAR_CODE_NO> (595)
2545947

>  <LOCATION_CODE> (595)
PTNCS

>  <AMOUNT_CURRENT> (595)
32.2

$$$$
WAY-383727
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.9740   10.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763   10.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6425    9.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9684   12.4342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1109    8.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5013    1.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7608    7.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    2.4225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3704   12.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070    9.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9087    8.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8517    9.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9013    1.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    9.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0201    5.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5432    3.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8933    4.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9502    3.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6341    6.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6909    4.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7815    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 18  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  4  1  0  0  0  0
 10  2  2  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  6  2  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17 20  1  0  0  0  0
 18 15  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 16  2  0  0  0  0
 22 16  1  0  0  0  0
 23  6  1  0  0  0  0
  9 11  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (596)
596

>  <Formula> (596)
C16H16N2O4S

>  <MolWeight> (596)
332.37424

>  <PCAT_CMPD_ID> (596)
WAY-383727

>  <CNC_ID> (596)
359399783

>  <transfer_container_id> (596)
PTN000000072

>  <COMPOUND_NUMBER> (596)
WAY-383727

>  <BAR_CODE_NO> (596)
2545756

>  <LOCATION_CODE> (596)
PTNCS

>  <AMOUNT_CURRENT> (596)
32.6

$$$$
WAY-383867
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.1292   -6.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -6.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417   -7.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.6292   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -6.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -8.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7250   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7417   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -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  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  8  7  2  0  0  0  0
  9 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  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  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 16  1  0  0  0  0
 22 23  1  0  0  0  0
 23 12  2  0  0  0  0
 24 11  2  0  0  0  0
 25 24  1  0  0  0  0
 26 19  2  0  0  0  0
 27 26  1  0  0  0  0
  4  5  1  0  0  0  0
 25 14  2  0  0  0  0
 15 22  2  0  0  0  0
 27 20  2  0  0  0  0
M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C23H24N2O2

>  <MolWeight> (597)
360.44886

>  <PCAT_CMPD_ID> (597)
WAY-383867

>  <CNC_ID> (597)
359399905

>  <transfer_container_id> (597)
PTN000000072

>  <COMPOUND_NUMBER> (597)
WAY-383867

>  <BAR_CODE_NO> (597)
2545902

>  <LOCATION_CODE> (597)
PTNCS

>  <AMOUNT_CURRENT> (597)
27.7

$$$$
WAY-383878
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.3917   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -5.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7042   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -5.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -7.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917    0.2208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500  -11.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750  -14.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  2  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  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  3  2  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 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  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 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 19 13  1  0  0  0  0
 25 21  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (598)
598

>  <Formula> (598)
C21H15FO3

>  <MolWeight> (598)
334.3404032

>  <PCAT_CMPD_ID> (598)
WAY-383878

>  <CNC_ID> (598)
359399916

>  <transfer_container_id> (598)
PTN000000072

>  <COMPOUND_NUMBER> (598)
WAY-383878

>  <BAR_CODE_NO> (598)
2545975

>  <LOCATION_CODE> (598)
PTNCS

>  <AMOUNT_CURRENT> (598)
32.4

$$$$
WAY-383929
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.4292    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.8833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.2208    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
    0.8792    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.5292    0.0000 S   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
    0.3667   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.6208    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  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  8  1  0  0  0  0
 10  9  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  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  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
  7  5  2  0  0  0  0
 18 17  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (599)
599

>  <Formula> (599)
C14H12N2OS2

>  <MolWeight> (599)
288.38788

>  <PCAT_CMPD_ID> (599)
WAY-383929

>  <CNC_ID> (599)
359399951

>  <transfer_container_id> (599)
PTN000000072

>  <COMPOUND_NUMBER> (599)
WAY-383929

>  <BAR_CODE_NO> (599)
2545995

>  <LOCATION_CODE> (599)
PTNCS

>  <AMOUNT_CURRENT> (599)
29.8

$$$$
WAY-383934
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5112    2.5006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8233    2.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7827    4.3627    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6567    3.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1152    4.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4447    4.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5602    4.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9693    2.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4047    3.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973    6.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634    3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2298    2.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8678    0.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2592    7.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    8.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3814    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0194    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2706    0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471    8.7827    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  4  2  0  0  0  0
  7 11  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  4  1  0  0  0  0
 12  8  2  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 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
  6  3  1  0  0  0  0
 18 20  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (600)
600

>  <Formula> (600)
C17H13NO2S

>  <MolWeight> (600)
295.35562

>  <PCAT_CMPD_ID> (600)
WAY-383934

>  <CNC_ID> (600)
359399956

>  <transfer_container_id> (600)
PTN000000072

>  <COMPOUND_NUMBER> (600)
WAY-383934

>  <BAR_CODE_NO> (600)
2546020

>  <LOCATION_CODE> (600)
PTNCS

>  <AMOUNT_CURRENT> (600)
33

$$$$
WAY-383952
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.4905    8.4948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8716    8.3538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590    9.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    9.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832    7.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232   10.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6632    3.6358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779    6.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9769    4.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9643    2.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6590    1.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7684    4.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6822    6.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5748    4.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    1.2232    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253   11.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    2.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   11.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168   12.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8548    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558    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  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  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  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  2  0  0  0  0
 21 17  2  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  3  1  0  0  0  0
 22 18  2  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C16H13BrN4O3

>  <MolWeight> (601)
389.20342

>  <PCAT_CMPD_ID> (601)
WAY-383952

>  <CNC_ID> (601)
359399973

>  <transfer_container_id> (601)
PTN000000072

>  <COMPOUND_NUMBER> (601)
WAY-383952

>  <BAR_CODE_NO> (601)
2546015

>  <LOCATION_CODE> (601)
PTNCS

>  <AMOUNT_CURRENT> (601)
32.4

$$$$
WAY-384035
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.3417   -9.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -6.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7125  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -7.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -5.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167  -12.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    9.4375    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
   13.5625  -14.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917  -13.0292    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  4  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  2  0  0  0  0
 13 17  1  0  0  0  0
 14  8  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 10  2  0  0  0  0
 22 10  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
  6  3  1  0  0  0  0
 24 26  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C20H18N2O3S

>  <MolWeight> (602)
366.43352

>  <PCAT_CMPD_ID> (602)
WAY-384035

>  <CNC_ID> (602)
359400043

>  <transfer_container_id> (602)
PTN000000072

>  <COMPOUND_NUMBER> (602)
WAY-384035

>  <BAR_CODE_NO> (602)
2546062

>  <LOCATION_CODE> (602)
PTNCS

>  <AMOUNT_CURRENT> (602)
32.5

$$$$
WAY-384039
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.9625   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -2.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -1.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -4.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.0875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167   -9.5250    0.0000 C   0  0  0  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 13  1  0  0  0  0
  9  8  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  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  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 17  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
  5  4  1  0  0  0  0
 14 10  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C17H15ClN2O2S

>  <MolWeight> (603)
346.8312

>  <PCAT_CMPD_ID> (603)
WAY-384039

>  <CNC_ID> (603)
359400047

>  <transfer_container_id> (603)
PTN000000072

>  <COMPOUND_NUMBER> (603)
WAY-384039

>  <BAR_CODE_NO> (603)
2546065

>  <LOCATION_CODE> (603)
PTNCS

>  <AMOUNT_CURRENT> (603)
32.6

$$$$
WAY-384043
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.4667   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -0.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -3.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -4.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -5.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -3.9042    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  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  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 15  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  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 16  1  0  0  0  0
 21  9  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 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  2  0  0  0  0
 28 24  2  0  0  0  0
 29 23  2  0  0  0  0
  9 12  2  0  0  0  0
 29 26  1  0  0  0  0
 11 10  2  0  0  0  0
 16 13  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (604)
604

>  <Formula> (604)
C23H16N2O2S2

>  <MolWeight> (604)
416.51534

>  <PCAT_CMPD_ID> (604)
WAY-384043

>  <CNC_ID> (604)
359400051

>  <transfer_container_id> (604)
PTN000000072

>  <COMPOUND_NUMBER> (604)
WAY-384043

>  <BAR_CODE_NO> (604)
2546069

>  <LOCATION_CODE> (604)
PTNCS

>  <AMOUNT_CURRENT> (604)
32.3

$$$$
WAY-384178
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.4500   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -2.5792    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
    4.2000   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -3.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -5.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -4.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -3.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -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  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 21  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 20  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  2  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  9  1  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 12  1  0  0  0  0
 23 22  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 26  2  0  0  0  0
 17  8  1  0  0  0  0
  9 16  1  0  0  0  0
  8 18  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (605)
605

>  <Formula> (605)
C21H26N2O4

>  <MolWeight> (605)
370.44214

>  <PCAT_CMPD_ID> (605)
WAY-384178

>  <CNC_ID> (605)
359400180

>  <transfer_container_id> (605)
PTN000000072

>  <COMPOUND_NUMBER> (605)
WAY-384178

>  <BAR_CODE_NO> (605)
2546202

>  <LOCATION_CODE> (605)
PTNCS

>  <AMOUNT_CURRENT> (605)
32.9

$$$$
WAY-384181
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.8667   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0542   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.6417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9250   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -5.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -3.5125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792  -14.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125  -12.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -3.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0375   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -8.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -14.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -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  8  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  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12  2  1  0  0  0  0
 13  1  2  0  0  0  0
 14  4  1  0  0  0  0
 15 12  1  0  0  0  0
 16  3  2  0  0  0  0
 17 10  2  0  0  0  0
 18  7  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 10  1  0  0  0  0
 25  8  1  0  0  0  0
 15 14  1  0  0  0  0
  9  6  2  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (606)
606

>  <Formula> (606)
C19H22N2O4

>  <MolWeight> (606)
342.38898

>  <PCAT_CMPD_ID> (606)
WAY-384181

>  <CNC_ID> (606)
359400183

>  <transfer_container_id> (606)
PTN000000072

>  <COMPOUND_NUMBER> (606)
WAY-384181

>  <BAR_CODE_NO> (606)
2546206

>  <LOCATION_CODE> (606)
PTNCS

>  <AMOUNT_CURRENT> (606)
30

$$$$
WAY-384185
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.6417    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750    1.3958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542    2.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    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  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  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  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 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
  5  9  2  0  0  0  0
 14 15  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (607)
607

>  <Formula> (607)
C15H12N4OS

>  <MolWeight> (607)
296.34698

>  <PCAT_CMPD_ID> (607)
WAY-384185

>  <CNC_ID> (607)
359400187

>  <transfer_container_id> (607)
PTN000000072

>  <COMPOUND_NUMBER> (607)
WAY-384185

>  <BAR_CODE_NO> (607)
2546209

>  <LOCATION_CODE> (607)
PTNCS

>  <AMOUNT_CURRENT> (607)
33

$$$$
WAY-384304
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.7447   -0.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7447    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0309   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0309    0.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654    0.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689   -0.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863   -0.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070    0.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930    0.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -1.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033   -0.6378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033   -2.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3206   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8311    0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3206   -1.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8346    1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5484    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5484    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311    1.8208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2691    0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2794    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9863    1.8001    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  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  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
 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
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 18 20  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C21H13F2NO3

>  <MolWeight> (608)
365.3296264

>  <PCAT_CMPD_ID> (608)
WAY-384304

>  <CNC_ID> (608)
359400291

>  <transfer_container_id> (608)
PTN000000072

>  <COMPOUND_NUMBER> (608)
WAY-384304

>  <BAR_CODE_NO> (608)
2546573

>  <LOCATION_CODE> (608)
PTNCS

>  <AMOUNT_CURRENT> (608)
33

$$$$
WAY-384308
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.5917   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -4.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -5.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -5.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -3.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -6.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -6.7417    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 17  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  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  2  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 15  2  0  0  0  0
 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 13  2  0  0  0  0
 20 21  2  0  0  0  0
 21  8  1  0  0  0  0
 22  7  2  0  0  0  0
 23 14  1  0  0  0  0
 24 13  1  0  0  0  0
 20 22  1  0  0  0  0
  4 18  1  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C18H23N5O

>  <MolWeight> (609)
325.40812

>  <PCAT_CMPD_ID> (609)
WAY-384308

>  <CNC_ID> (609)
359400295

>  <transfer_container_id> (609)
PTN000000072

>  <COMPOUND_NUMBER> (609)
WAY-384308

>  <BAR_CODE_NO> (609)
2546577

>  <LOCATION_CODE> (609)
PTNCS

>  <AMOUNT_CURRENT> (609)
32.7

$$$$
WAY-384315
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.2167   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -4.9542    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
    7.0792   -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
    5.9417   -5.5292    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
    6.4792   -6.0000    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
    7.3875   -4.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -6.6792    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
    5.1500   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -6.9167    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  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 16  2  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
  9  5  1  0  0  0  0
 17 21  2  0  0  0  0
 12 11  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C18H12N4O

>  <MolWeight> (610)
300.31408

>  <PCAT_CMPD_ID> (610)
WAY-384315

>  <CNC_ID> (610)
359400302

>  <transfer_container_id> (610)
PTN000000072

>  <COMPOUND_NUMBER> (610)
WAY-384315

>  <BAR_CODE_NO> (610)
2546567

>  <LOCATION_CODE> (610)
PTNCS

>  <AMOUNT_CURRENT> (610)
32.3

$$$$
WAY-384357
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8625   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -7.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -8.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -7.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -5.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -4.4417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -8.8375    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  5  1  0  0  0  0
  5  3  2  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 14  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  1  0  0  0  0
 16  2  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19  5  1  0  0  0  0
 15 18  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C13H12ClN3O2

>  <MolWeight> (611)
277.70628

>  <PCAT_CMPD_ID> (611)
WAY-384357

>  <CNC_ID> (611)
359400344

>  <transfer_container_id> (611)
PTN000000072

>  <COMPOUND_NUMBER> (611)
WAY-384357

>  <BAR_CODE_NO> (611)
2546476

>  <LOCATION_CODE> (611)
PTNCS

>  <AMOUNT_CURRENT> (611)
32.9

$$$$
WAY-384430
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.7500   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -2.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -2.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -2.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8417   -3.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -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  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  8  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  7  1  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 14  1  0  0  0  0
 19 14  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
 10  9  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C16H19N3O2S

>  <MolWeight> (612)
317.40596

>  <PCAT_CMPD_ID> (612)
WAY-384430

>  <CNC_ID> (612)
359400402

>  <transfer_container_id> (612)
PTN000000072

>  <COMPOUND_NUMBER> (612)
WAY-384430

>  <BAR_CODE_NO> (612)
2546697

>  <LOCATION_CODE> (612)
PTNCS

>  <AMOUNT_CURRENT> (612)
32.6

$$$$
WAY-384449
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3386    0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219    1.4044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156   -0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219    0.0752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7531   -1.4831    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094    1.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3531   -2.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094    0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7156    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9364   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906    0.7294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261    1.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906    0.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531    0.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2364   -2.8873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469    1.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469    0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7761    1.5502    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  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 14  1  0  0  0  0
 10  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  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 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 18  1  0  0  0  0
  6  8  2  0  0  0  0
 18 19  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (613)
613

>  <Formula> (613)
C14H11ClN2OS2

>  <MolWeight> (613)
322.83294

>  <PCAT_CMPD_ID> (613)
WAY-384449

>  <CNC_ID> (613)
359400420

>  <transfer_container_id> (613)
PTN000000072

>  <COMPOUND_NUMBER> (613)
WAY-384449

>  <BAR_CODE_NO> (613)
2546653

>  <LOCATION_CODE> (613)
PTNCS

>  <AMOUNT_CURRENT> (613)
32.8

$$$$
WAY-384501
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.6875   -5.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -7.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -4.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -8.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792  -10.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625  -10.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792  -11.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -6.7417    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 22  2  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  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 19  2  0  0  0  0
 25 18  1  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 17  1  0  0  0  0
 30 29  2  0  0  0  0
  5  2  1  0  0  0  0
 14 23  1  0  0  0  0
 30 16  1  0  0  0  0
 15 25  2  0  0  0  0
M  END
>  <Mol_ID> (614)
614

>  <Formula> (614)
C25H22N2O3

>  <MolWeight> (614)
398.45378

>  <PCAT_CMPD_ID> (614)
WAY-384501

>  <CNC_ID> (614)
359400469

>  <transfer_container_id> (614)
PTN000000072

>  <COMPOUND_NUMBER> (614)
WAY-384501

>  <BAR_CODE_NO> (614)
2546614

>  <LOCATION_CODE> (614)
PTNCS

>  <AMOUNT_CURRENT> (614)
32.4

$$$$
WAY-384502
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.6875   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -3.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -7.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750  -10.1917    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 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  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 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 21  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  2  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
  5  2  1  0  0  0  0
 14 20  2  0  0  0  0
 26 15  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (615)
615

>  <Formula> (615)
C24H20N2O3

>  <MolWeight> (615)
384.4272

>  <PCAT_CMPD_ID> (615)
WAY-384502

>  <CNC_ID> (615)
359400470

>  <transfer_container_id> (615)
PTN000000072

>  <COMPOUND_NUMBER> (615)
WAY-384502

>  <BAR_CODE_NO> (615)
2546615

>  <LOCATION_CODE> (615)
PTNCS

>  <AMOUNT_CURRENT> (615)
32.6

$$$$
WAY-384512
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.6542   -3.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -2.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -4.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -4.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -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  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13 19  2  0  0  0  0
 14  6  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 12  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
  2  5  1  0  0  0  0
 13 18  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (616)
616

>  <Formula> (616)
C16H13ClN4O2S

>  <MolWeight> (616)
360.81802

>  <PCAT_CMPD_ID> (616)
WAY-384512

>  <CNC_ID> (616)
359400478

>  <transfer_container_id> (616)
PTN000000072

>  <COMPOUND_NUMBER> (616)
WAY-384512

>  <BAR_CODE_NO> (616)
2546672

>  <LOCATION_CODE> (616)
PTNCS

>  <AMOUNT_CURRENT> (616)
32.8

$$$$
WAY-384514
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.7750   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -0.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9667    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667    4.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292    4.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5750   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -4.2167    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  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  1  2  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  7  1  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 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  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 17  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
 16 22  2  0  0  0  0
 24 26  2  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C20H17NO5

>  <MolWeight> (617)
351.35268

>  <PCAT_CMPD_ID> (617)
WAY-384514

>  <CNC_ID> (617)
359400480

>  <transfer_container_id> (617)
PTN000000072

>  <COMPOUND_NUMBER> (617)
WAY-384514

>  <BAR_CODE_NO> (617)
2546674

>  <LOCATION_CODE> (617)
PTNCS

>  <AMOUNT_CURRENT> (617)
32.2

$$$$
WAY-384555
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.6875   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -6.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0917   -5.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -7.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -4.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -5.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -7.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -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  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  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  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 16  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  7  2  0  0  0  0
 19  8  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
  2  3  1  0  0  0  0
  8  7  1  0  0  0  0
 20 21  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C16H8Cl2O3

>  <MolWeight> (618)
319.13892

>  <PCAT_CMPD_ID> (618)
WAY-384555

>  <CNC_ID> (618)
359400521

>  <transfer_container_id> (618)
PTN000000072

>  <COMPOUND_NUMBER> (618)
WAY-384555

>  <BAR_CODE_NO> (618)
2546751

>  <LOCATION_CODE> (618)
PTNCS

>  <AMOUNT_CURRENT> (618)
32.4

$$$$
WAY-384563
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.5667   -5.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -5.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -8.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -3.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -9.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -7.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -8.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -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  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 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  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  2  2  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  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 17  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
  4  5  1  0  0  0  0
 25 24  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C17H23N3O4S

>  <MolWeight> (619)
365.44722

>  <PCAT_CMPD_ID> (619)
WAY-384563

>  <CNC_ID> (619)
359400529

>  <transfer_container_id> (619)
PTN000000072

>  <COMPOUND_NUMBER> (619)
WAY-384563

>  <BAR_CODE_NO> (619)
2546778

>  <LOCATION_CODE> (619)
PTNCS

>  <AMOUNT_CURRENT> (619)
32.2

$$$$
WAY-384609
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.3542   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -7.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -5.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7042   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -9.8875    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  8  1  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  4  2  0  0  0  0
 12 15  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 14  1  0  0  0  0
 17  2  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
 10 16  2  0  0  0  0
  4  6  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C16H17NO4

>  <MolWeight> (620)
287.31048

>  <PCAT_CMPD_ID> (620)
WAY-384609

>  <CNC_ID> (620)
359400578

>  <transfer_container_id> (620)
PTN000000072

>  <COMPOUND_NUMBER> (620)
WAY-384609

>  <BAR_CODE_NO> (620)
2546797

>  <LOCATION_CODE> (620)
PTNCS

>  <AMOUNT_CURRENT> (620)
32.1

$$$$
WAY-384618
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.5292   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -2.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.9375    0.0000 N   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
    1.5292   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -2.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.6250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.1208    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  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  7  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  8  1  0  0  0  0
 14 20  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  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 13  1  0  0  0  0
 23 22  1  0  0  0  0
  6  5  2  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C16H17ClN2O2S2

>  <MolWeight> (621)
368.90138

>  <PCAT_CMPD_ID> (621)
WAY-384618

>  <CNC_ID> (621)
359400584

>  <transfer_container_id> (621)
PTN000000072

>  <COMPOUND_NUMBER> (621)
WAY-384618

>  <BAR_CODE_NO> (621)
2547002

>  <LOCATION_CODE> (621)
PTNCS

>  <AMOUNT_CURRENT> (621)
32

$$$$
WAY-384652
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.6667   -6.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -8.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -7.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -8.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625  -12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292  -11.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -9.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542  -14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -7.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -15.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875  -11.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417  -10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -9.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -12.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -14.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375  -15.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -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  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 18  1  0  0  0  0
  9 11  1  0  0  0  0
 10  7  1  0  0  0  0
 11 16  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  2  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 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21  7  2  0  0  0  0
 22 10  2  0  0  0  0
 23 13  1  0  0  0  0
 24 11  2  0  0  0  0
 25 15  1  0  0  0  0
 26 22  1  0  0  0  0
 27 14  2  0  0  0  0
 28 27  1  0  0  0  0
 29 13  1  0  0  0  0
 30 28  1  0  0  0  0
  5  3  1  0  0  0  0
 23 28  2  0  0  0  0
  8 17  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C20H22N6O3S

>  <MolWeight> (622)
426.49208

>  <PCAT_CMPD_ID> (622)
WAY-384652

>  <CNC_ID> (622)
359400615

>  <transfer_container_id> (622)
PTN000000072

>  <COMPOUND_NUMBER> (622)
WAY-384652

>  <BAR_CODE_NO> (622)
2546886

>  <LOCATION_CODE> (622)
PTNCS

>  <AMOUNT_CURRENT> (622)
32.7

$$$$
WAY-384659
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.3667   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -1.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0875   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667    0.3750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -2.2250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -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  2  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  8  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 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  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  7  1  0  0  0  0
 18  4  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  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  5  2  0  0  0  0
 24 25  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C16H13Cl2N5OS

>  <MolWeight> (623)
394.27832

>  <PCAT_CMPD_ID> (623)
WAY-384659

>  <CNC_ID> (623)
359400622

>  <transfer_container_id> (623)
PTN000000072

>  <COMPOUND_NUMBER> (623)
WAY-384659

>  <BAR_CODE_NO> (623)
2546881

>  <LOCATION_CODE> (623)
PTNCS

>  <AMOUNT_CURRENT> (623)
32.4

$$$$
WAY-384686
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.7250   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -3.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7250   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -6.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -4.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -6.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -3.1375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -1.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -3.6875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1292    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  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 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  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  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  3  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  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 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
  6  4  1  0  0  0  0
 25 26  2  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
C19H15F3N2O2

>  <MolWeight> (624)
360.3298096

>  <PCAT_CMPD_ID> (624)
WAY-384686

>  <CNC_ID> (624)
359400649

>  <transfer_container_id> (624)
PTN000000072

>  <COMPOUND_NUMBER> (624)
WAY-384686

>  <BAR_CODE_NO> (624)
2546923

>  <LOCATION_CODE> (624)
PTNCS

>  <AMOUNT_CURRENT> (624)
32.4

$$$$
WAY-384689
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.1917   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    3.2708    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  3  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  1  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 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 22  2  0  0  0  0
 21 25  2  0  0  0  0
 22 17  1  0  0  0  0
 23 14  2  0  0  0  0
 24 16  2  0  0  0  0
 25 15  1  0  0  0  0
 26 19  2  0  0  0  0
 27 18  1  0  0  0  0
 28 26  1  0  0  0  0
 29 20  1  0  0  0  0
 30 21  1  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
 33 29  1  0  0  0  0
  4  3  2  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C27H22N2O4

>  <MolWeight> (625)
438.47458

>  <PCAT_CMPD_ID> (625)
WAY-384689

>  <CNC_ID> (625)
359400652

>  <transfer_container_id> (625)
PTN000000072

>  <COMPOUND_NUMBER> (625)
WAY-384689

>  <BAR_CODE_NO> (625)
2546912

>  <LOCATION_CODE> (625)
PTNCS

>  <AMOUNT_CURRENT> (625)
29.9

$$$$
WAY-384712
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.5417   -9.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917  -10.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0758   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -9.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625  -10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417  -11.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -6.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167  -11.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750  -11.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417  -11.5167    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  6  3  0  0  0  0
  5  1  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  1  0  0  0  0
  8  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 27  1  0  0  0  0
 16  3  1  0  0  0  0
 17 20  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  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  2  1  0  0  0  0
 25  2  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28  8  1  0  0  0  0
 11  7  2  0  0  0  0
 21 17  2  0  0  0  0
 15 26  1  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C21H22N4O3

>  <MolWeight> (626)
378.42438

>  <PCAT_CMPD_ID> (626)
WAY-384712

>  <CNC_ID> (626)
359400675

>  <transfer_container_id> (626)
PTN000000072

>  <COMPOUND_NUMBER> (626)
WAY-384712

>  <BAR_CODE_NO> (626)
2546903

>  <LOCATION_CODE> (626)
PTNCS

>  <AMOUNT_CURRENT> (626)
32.6

$$$$
WAY-384715
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.3292   -5.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -5.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -3.7875    0.0000 C   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
    2.9042   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -7.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -6.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -5.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -3.0542    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
    9.9917   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -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  1  1  0  0  0  0
  4  7  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  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12 14  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  1  0  0  0  0
 16 21  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19 12  1  0  0  0  0
 20 17  2  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 16  1  0  0  0  0
 25 19  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
 29 28  1  0  0  0  0
 27 29  1  0  0  0  0
  5 12  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C20H25N3O4S2

>  <MolWeight> (627)
435.5602

>  <PCAT_CMPD_ID> (627)
WAY-384715

>  <CNC_ID> (627)
359400678

>  <transfer_container_id> (627)
PTN000000072

>  <COMPOUND_NUMBER> (627)
WAY-384715

>  <BAR_CODE_NO> (627)
2546943

>  <LOCATION_CODE> (627)
PTNCS

>  <AMOUNT_CURRENT> (627)
32.8

$$$$
WAY-384745
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.5042   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -5.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -5.2750    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
    5.6375   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -4.6125    0.0000 C   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
    0.8667   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -7.2625    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
    0.8667   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -3.0500    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 12  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 14  6  1  0  0  0  0
 15  2  1  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 10  1  0  0  0  0
 20 15  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
 22 23  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C17H22N2O4

>  <MolWeight> (628)
318.36758

>  <PCAT_CMPD_ID> (628)
WAY-384745

>  <CNC_ID> (628)
359400708

>  <transfer_container_id> (628)
PTN000000072

>  <COMPOUND_NUMBER> (628)
WAY-384745

>  <BAR_CODE_NO> (628)
2546710

>  <LOCATION_CODE> (628)
PTNCS

>  <AMOUNT_CURRENT> (628)
32.7

$$$$
WAY-384746
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.8875   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -6.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -3.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -6.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -4.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375   -8.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -6.2042    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 13  1  0  0  0  0
  6  5  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  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
 14  2  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17  8  2  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  1  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
 22 24  1  0  0  0  0
 15  4  1  0  0  0  0
M  END
>  <Mol_ID> (629)
629

>  <Formula> (629)
C18H24N2O4

>  <MolWeight> (629)
332.39416

>  <PCAT_CMPD_ID> (629)
WAY-384746

>  <CNC_ID> (629)
359400709

>  <transfer_container_id> (629)
PTN000000072

>  <COMPOUND_NUMBER> (629)
WAY-384746

>  <BAR_CODE_NO> (629)
2546711

>  <LOCATION_CODE> (629)
PTNCS

>  <AMOUNT_CURRENT> (629)
32.7

$$$$
WAY-384768
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.3125   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -2.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5167   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -1.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -3.4417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3292   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -1.5167    0.0000 O   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
    6.7792   -3.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2917    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -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  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 12  1  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  3  2  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  3  1  0  0  0  0
 15  1  2  0  0  0  0
 16  5  1  0  0  0  0
 17 16  1  0  0  0  0
 18 22  2  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 15  1  0  0  0  0
 18  9  1  0  0  0  0
 20 13  1  0  0  0  0
M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C16H22N2O3S

>  <MolWeight> (630)
322.42248

>  <PCAT_CMPD_ID> (630)
WAY-384768

>  <CNC_ID> (630)
359400731

>  <transfer_container_id> (630)
PTN000000072

>  <COMPOUND_NUMBER> (630)
WAY-384768

>  <BAR_CODE_NO> (630)
2546781

>  <LOCATION_CODE> (630)
PTNCS

>  <AMOUNT_CURRENT> (630)
32.4

$$$$
WAY-384811
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6888   -0.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5445   -0.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2195    0.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430   -1.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    0.1443    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5237    0.6568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195    1.2318    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695    0.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138   -0.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1237    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445   -1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305    0.7943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820    2.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805   -0.8265    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  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  4  1  0  0  0  0
  9  3  2  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 14  2  0  0  0  0
 14  8  1  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 18  1  0  0  0  0
  8  2  2  0  0  0  0
  9 13  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C13H13N3OS2

>  <MolWeight> (631)
291.39182

>  <PCAT_CMPD_ID> (631)
WAY-384811

>  <CNC_ID> (631)
359400774

>  <transfer_container_id> (631)
PTN000000072

>  <COMPOUND_NUMBER> (631)
WAY-384811

>  <BAR_CODE_NO> (631)
2547123

>  <LOCATION_CODE> (631)
PTNCS

>  <AMOUNT_CURRENT> (631)
14.4

$$$$
WAY-384813
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.5381   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -0.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381    1.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9968   -0.5446    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8795   -0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4416   -2.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9071    0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3653   -1.2343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7722   -0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0239   -1.4964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9274    0.9347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170   -0.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3412    1.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5722    0.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6688   -1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5032    3.1002    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
  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> (632)
632

>  <Formula> (632)
C11H10N2O2S2

>  <MolWeight> (632)
266.3393

>  <PCAT_CMPD_ID> (632)
WAY-384813

>  <CNC_ID> (632)
359400776

>  <transfer_container_id> (632)
PTN000000072

>  <COMPOUND_NUMBER> (632)
WAY-384813

>  <BAR_CODE_NO> (632)
2547125

>  <LOCATION_CODE> (632)
PTNCS

>  <AMOUNT_CURRENT> (632)
32.8

$$$$
WAY-384835
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9790    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928    0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2721    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7031    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2721    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796   -1.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1796   -2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4693   -3.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4796   -4.0207    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
  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  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
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C16H20ClN3O2

>  <MolWeight> (633)
321.8019

>  <PCAT_CMPD_ID> (633)
WAY-384835

>  <CNC_ID> (633)
359400798

>  <transfer_container_id> (633)
PTN000000072

>  <COMPOUND_NUMBER> (633)
WAY-384835

>  <BAR_CODE_NO> (633)
2547330

>  <LOCATION_CODE> (633)
PTNCS

>  <AMOUNT_CURRENT> (633)
32

$$$$
WAY-384873
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8042   -1.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    0.0333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8042   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -4.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -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  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  2  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  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  2  0  0  0  0
 15 25  1  0  0  0  0
 16  2  1  0  0  0  0
 17  3  1  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 16  1  0  0  0  0
 22  8  1  0  0  0  0
 23 11  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 17 21  1  0  0  0  0
 11 12  2  0  0  0  0
 24 15  1  0  0  0  0
M  END
>  <Mol_ID> (634)
634

>  <Formula> (634)
C17H23ClN2O4S

>  <MolWeight> (634)
386.89352

>  <PCAT_CMPD_ID> (634)
WAY-384873

>  <CNC_ID> (634)
359400835

>  <transfer_container_id> (634)
PTN000000072

>  <COMPOUND_NUMBER> (634)
WAY-384873

>  <BAR_CODE_NO> (634)
2547411

>  <LOCATION_CODE> (634)
PTNCS

>  <AMOUNT_CURRENT> (634)
32.5

$$$$
WAY-384874
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9292   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -2.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1792   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.8417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0875   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -3.5250    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  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
  5  4  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (635)
635

>  <Formula> (635)
C12H21N5OS

>  <MolWeight> (635)
283.39304

>  <PCAT_CMPD_ID> (635)
WAY-384874

>  <CNC_ID> (635)
359400836

>  <transfer_container_id> (635)
PTN000000072

>  <COMPOUND_NUMBER> (635)
WAY-384874

>  <BAR_CODE_NO> (635)
2547412

>  <LOCATION_CODE> (635)
PTNCS

>  <AMOUNT_CURRENT> (635)
32.7

$$$$
WAY-384901
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    6.7000   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -8.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -8.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -8.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -7.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -6.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -9.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167  -11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500  -11.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2250  -12.0667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -4.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -7.6792    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  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  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13 11  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 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 10  1  0  0  0  0
 24 27  1  0  0  0  0
 25 14  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
  4  5  1  0  0  0  0
 10  7  1  0  0  0  0
 14 15  1  0  0  0  0
 19 16  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C21H15Cl2N5O2

>  <MolWeight> (636)
440.2821

>  <PCAT_CMPD_ID> (636)
WAY-384901

>  <CNC_ID> (636)
359400854

>  <transfer_container_id> (636)
PTN000000072

>  <COMPOUND_NUMBER> (636)
WAY-384901

>  <BAR_CODE_NO> (636)
2546951

>  <LOCATION_CODE> (636)
PTNCS

>  <AMOUNT_CURRENT> (636)
33

$$$$
WAY-384941
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.7116    5.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8078    1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321    6.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3174    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1115    5.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8918    2.6256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    3.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9023    2.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7818    0.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1344    1.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9112    5.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    7.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494    6.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7953    3.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5799    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    9.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  3 16  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  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  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  4  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
 17 19  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C15H15NO4

>  <MolWeight> (637)
273.2839

>  <PCAT_CMPD_ID> (637)
WAY-384941

>  <CNC_ID> (637)
359400871

>  <transfer_container_id> (637)
PTN000000072

>  <COMPOUND_NUMBER> (637)
WAY-384941

>  <BAR_CODE_NO> (637)
2546928

>  <LOCATION_CODE> (637)
PTNCS

>  <AMOUNT_CURRENT> (637)
32.4

$$$$
WAY-384944
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.8875   -3.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -4.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -4.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -4.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -1.9500    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
    8.8417   -4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -4.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -6.8667    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  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9 12  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  6  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  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  2  0  0  0  0
 23 13  1  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  2  0  0  0  0
 27 17  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
  5  3  1  0  0  0  0
 25 28  2  0  0  0  0
 14 19  1  0  0  0  0
 29 24  2  0  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C22H17FN4OS

>  <MolWeight> (638)
404.4599832

>  <PCAT_CMPD_ID> (638)
WAY-384944

>  <CNC_ID> (638)
359400874

>  <transfer_container_id> (638)
PTN000000072

>  <COMPOUND_NUMBER> (638)
WAY-384944

>  <BAR_CODE_NO> (638)
2546931

>  <LOCATION_CODE> (638)
PTNCS

>  <AMOUNT_CURRENT> (638)
32.8

$$$$
WAY-384956
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.6292   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -7.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -5.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -7.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875   -6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -7.4375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4542   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875   -8.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -1.6375    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
   13.4542   -8.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625  -10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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 11  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 12  1  0  0  0  0
 19 14  2  0  0  0  0
 20 13  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
 24 14  1  0  0  0  0
 25 12  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  2  0  0  0  0
 28 20  1  0  0  0  0
 29 21  1  0  0  0  0
 30 24  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
  3  5  1  0  0  0  0
 22 18  2  0  0  0  0
 31 33  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C25H25N5O2S

>  <MolWeight> (639)
459.5633

>  <PCAT_CMPD_ID> (639)
WAY-384956

>  <CNC_ID> (639)
359400886

>  <transfer_container_id> (639)
PTN000000072

>  <COMPOUND_NUMBER> (639)
WAY-384956

>  <BAR_CODE_NO> (639)
2546986

>  <LOCATION_CODE> (639)
PTNCS

>  <AMOUNT_CURRENT> (639)
32.1

$$$$
WAY-384980
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.4542   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -5.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -7.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -6.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8292   -6.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167   -8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8875   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -3.3167    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
    7.8417   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -9.6417    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  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 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  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  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  5  1  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 11  1  0  0  0  0
 24 17  1  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 25  1  0  0  0  0
 29 26  1  0  0  0  0
  9 11  2  0  0  0  0
 23 28  2  0  0  0  0
 27 29  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C24H21N3OS

>  <MolWeight> (640)
399.50804

>  <PCAT_CMPD_ID> (640)
WAY-384980

>  <CNC_ID> (640)
359400909

>  <transfer_container_id> (640)
PTN000000072

>  <COMPOUND_NUMBER> (640)
WAY-384980

>  <BAR_CODE_NO> (640)
2547031

>  <LOCATION_CODE> (640)
PTNCS

>  <AMOUNT_CURRENT> (640)
32.2

$$$$
WAY-385018
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.3875   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -6.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -9.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917   -6.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -5.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -3.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    6.5167    0.0000 Cl  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
   -0.3708    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -9.6292    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 14  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  1  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  2  0  0  0  0
 10  1  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 17  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  1  0  0  0  0
 18 15  2  0  0  0  0
 19 24  2  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 10  1  0  0  0  0
 26 25  1  0  0  0  0
 11 26  1  0  0  0  0
  9 18  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (641)
641

>  <Formula> (641)
C19H16ClNO5

>  <MolWeight> (641)
373.78704

>  <PCAT_CMPD_ID> (641)
WAY-385018

>  <CNC_ID> (641)
359400947

>  <transfer_container_id> (641)
PTN000000072

>  <COMPOUND_NUMBER> (641)
WAY-385018

>  <BAR_CODE_NO> (641)
2547046

>  <LOCATION_CODE> (641)
PTNCS

>  <AMOUNT_CURRENT> (641)
32.4

$$$$
WAY-385023
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.4625   -6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -6.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4667   -7.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -8.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9125   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -8.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -6.3000    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  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  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  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
  4  5  1  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (642)
642

>  <Formula> (642)
C10H7NO4S2

>  <MolWeight> (642)
269.29688

>  <PCAT_CMPD_ID> (642)
WAY-385023

>  <CNC_ID> (642)
359400952

>  <transfer_container_id> (642)
PTN000000072

>  <COMPOUND_NUMBER> (642)
WAY-385023

>  <BAR_CODE_NO> (642)
2547012

>  <LOCATION_CODE> (642)
PTNCS

>  <AMOUNT_CURRENT> (642)
32.7

$$$$
WAY-385034
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.1750   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -8.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -12.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667  -11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500  -14.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -6.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -9.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0750  -11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667  -14.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -12.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -15.9792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -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  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5 13  1  0  0  0  0
  6  4  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 19  1  0  0  0  0
 17 10  1  0  0  0  0
 18  4  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21  1  2  0  0  0  0
 22 12  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 22 24  1  0  0  0  0
  3  9  1  0  0  0  0
 16  6  2  0  0  0  0
M  END
>  <Mol_ID> (643)
643

>  <Formula> (643)
C17H13Cl2N3O2

>  <MolWeight> (643)
362.21002

>  <PCAT_CMPD_ID> (643)
WAY-385034

>  <CNC_ID> (643)
359400963

>  <transfer_container_id> (643)
PTN000000072

>  <COMPOUND_NUMBER> (643)
WAY-385034

>  <BAR_CODE_NO> (643)
2547085

>  <LOCATION_CODE> (643)
PTNCS

>  <AMOUNT_CURRENT> (643)
32.6

$$$$
WAY-385035
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.3860    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860   -0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067    0.9313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3791    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067   -0.9412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3791   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3618    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3618   -0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037    0.0071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554   -0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347   -0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140    0.0071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8140   -1.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4485    1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9554    0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727    1.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3278    1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  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> (644)
644

>  <Formula> (644)
C13H14N2OS2

>  <MolWeight> (644)
278.39306

>  <PCAT_CMPD_ID> (644)
WAY-385035

>  <CNC_ID> (644)
359400964

>  <transfer_container_id> (644)
PTN000000072

>  <COMPOUND_NUMBER> (644)
WAY-385035

>  <BAR_CODE_NO> (644)
2547086

>  <LOCATION_CODE> (644)
PTNCS

>  <AMOUNT_CURRENT> (644)
32.6

$$$$
WAY-385037
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.0917   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -5.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250   -8.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -3.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1625   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417  -11.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875  -12.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.0042    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  9  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  1  0  0  0  0
 10  4  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 10  1  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 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  6  7  1  0  0  0  0
 19 20  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (645)
645

>  <Formula> (645)
C15H18N2OS2

>  <MolWeight> (645)
306.44622

>  <PCAT_CMPD_ID> (645)
WAY-385037

>  <CNC_ID> (645)
359400966

>  <transfer_container_id> (645)
PTN000000072

>  <COMPOUND_NUMBER> (645)
WAY-385037

>  <BAR_CODE_NO> (645)
2547088

>  <LOCATION_CODE> (645)
PTNCS

>  <AMOUNT_CURRENT> (645)
32.6

$$$$
WAY-385055
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.1125   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -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  1  0  0  0  0
  5 11  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  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
 12  1  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  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 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22 20  1  0  0  0  0
  8 10  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (646)
646

>  <Formula> (646)
C16H16N2O4

>  <MolWeight> (646)
300.30924

>  <PCAT_CMPD_ID> (646)
WAY-385055

>  <CNC_ID> (646)
359400984

>  <transfer_container_id> (646)
PTN000000072

>  <COMPOUND_NUMBER> (646)
WAY-385055

>  <BAR_CODE_NO> (646)
2547298

>  <LOCATION_CODE> (646)
PTNCS

>  <AMOUNT_CURRENT> (646)
32.6

$$$$
WAY-385107
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.5125    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -6.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    5.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -4.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.2083    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
   15.1042   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -9.3667    0.0000 C   0  0  0  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 13  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  7  2  0  0  0  0
 13 15  1  0  0  0  0
 14  3  1  0  0  0  0
 15 23  1  0  0  0  0
 16  9  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  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24  6  2  0  0  0  0
 25  4  2  0  0  0  0
 26 28  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 21  1  0  0  0  0
 30 20  1  0  0  0  0
 31 32  2  0  0  0  0
 32 25  1  0  0  0  0
 33 29  1  0  0  0  0
  5  3  1  0  0  0  0
 31 24  1  0  0  0  0
 18 14  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C25H21NO6S

>  <MolWeight> (647)
463.50234

>  <PCAT_CMPD_ID> (647)
WAY-385107

>  <CNC_ID> (647)
359401036

>  <transfer_container_id> (647)
PTN000000072

>  <COMPOUND_NUMBER> (647)
WAY-385107

>  <BAR_CODE_NO> (647)
2547138

>  <LOCATION_CODE> (647)
PTNCS

>  <AMOUNT_CURRENT> (647)
32.9

$$$$
WAY-385151
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    2.0500    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.9583    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
    2.0500    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    0.1083    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
    2.6667    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -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  1  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  5  1  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  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15 16  2  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
  8  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C16H9NO4

>  <MolWeight> (648)
279.24696

>  <PCAT_CMPD_ID> (648)
WAY-385151

>  <CNC_ID> (648)
359401072

>  <transfer_container_id> (648)
PTN000000072

>  <COMPOUND_NUMBER> (648)
WAY-385151

>  <BAR_CODE_NO> (648)
2547285

>  <LOCATION_CODE> (648)
PTNCS

>  <AMOUNT_CURRENT> (648)
29

$$$$
WAY-385300
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.0375   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -3.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -4.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -4.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -5.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -3.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -5.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.3250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.4042    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
    3.1167   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -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  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  8  1  0  0  0  0
 10  4  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 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
  4  6  2  0  0  0  0
 14 13  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C14H10FN3O2S2

>  <MolWeight> (649)
335.3765032

>  <PCAT_CMPD_ID> (649)
WAY-385300

>  <CNC_ID> (649)
359401215

>  <transfer_container_id> (649)
PTN000000072

>  <COMPOUND_NUMBER> (649)
WAY-385300

>  <BAR_CODE_NO> (649)
2547442

>  <LOCATION_CODE> (649)
PTNCS

>  <AMOUNT_CURRENT> (649)
32.5

$$$$
WAY-385324
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.6019    0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9812    0.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8226    0.1910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8088    1.5324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7536    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295    0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7674   -0.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1502    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3464    0.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1709   -1.1227    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740    0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5950   -1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2571   -1.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1433   -0.5331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257    0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326   -0.6296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1360   -0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1360    0.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9429   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9429    0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843   -0.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843    0.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360    0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 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  2  0  0  0  0
 20 21  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C17H12N2O4S2

>  <MolWeight> (650)
372.41818

>  <PCAT_CMPD_ID> (650)
WAY-385324

>  <CNC_ID> (650)
359401239

>  <transfer_container_id> (650)
PTN000000072

>  <COMPOUND_NUMBER> (650)
WAY-385324

>  <BAR_CODE_NO> (650)
2547475

>  <LOCATION_CODE> (650)
PTNCS

>  <AMOUNT_CURRENT> (650)
32.7

$$$$
WAY-385327
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.5000   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -3.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -4.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -5.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -7.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -7.8792    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  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 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 14  1  0  0  0  0
 20 19  1  0  0  0  0
  7  8  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (651)
651

>  <Formula> (651)
C14H14N2O3S

>  <MolWeight> (651)
290.33756

>  <PCAT_CMPD_ID> (651)
WAY-385327

>  <CNC_ID> (651)
359401242

>  <transfer_container_id> (651)
PTN000000072

>  <COMPOUND_NUMBER> (651)
WAY-385327

>  <BAR_CODE_NO> (651)
2547478

>  <LOCATION_CODE> (651)
PTNCS

>  <AMOUNT_CURRENT> (651)
32.1

$$$$
WAY-385341
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.7375   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -3.8667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7375   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -4.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -6.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -6.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542    1.0708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417    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  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  2  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 21  1  0  0  0  0
 14 12  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  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 17  1  0  0  0  0
 23 20  1  0  0  0  0
  7  5  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  2  0  0  0  0
M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C16H18FN3O3

>  <MolWeight> (652)
319.3308232

>  <PCAT_CMPD_ID> (652)
WAY-385341

>  <CNC_ID> (652)
359401256

>  <transfer_container_id> (652)
PTN000000072

>  <COMPOUND_NUMBER> (652)
WAY-385341

>  <BAR_CODE_NO> (652)
2547466

>  <LOCATION_CODE> (652)
PTNCS

>  <AMOUNT_CURRENT> (652)
32.4

$$$$
WAY-385419
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.7375   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -3.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0500   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -4.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -6.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -6.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125    2.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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  4  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 22  1  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  2  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  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
  6  5  1  0  0  0  0
 12 23  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C16H18ClN3O3

>  <MolWeight> (653)
335.78542

>  <PCAT_CMPD_ID> (653)
WAY-385419

>  <CNC_ID> (653)
359401298

>  <transfer_container_id> (653)
PTN000000072

>  <COMPOUND_NUMBER> (653)
WAY-385419

>  <BAR_CODE_NO> (653)
2547530

>  <LOCATION_CODE> (653)
PTNCS

>  <AMOUNT_CURRENT> (653)
32

$$$$
WAY-385431
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.2375   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -3.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -4.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -5.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -7.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -8.0167    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  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  2  0  0  0  0
 11  4  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 18  1  0  0  0  0
  8  9  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C14H12N2O2S

>  <MolWeight> (654)
272.32228

>  <PCAT_CMPD_ID> (654)
WAY-385431

>  <CNC_ID> (654)
359401310

>  <transfer_container_id> (654)
PTN000000072

>  <COMPOUND_NUMBER> (654)
WAY-385431

>  <BAR_CODE_NO> (654)
2547524

>  <LOCATION_CODE> (654)
PTNCS

>  <AMOUNT_CURRENT> (654)
32.5

$$$$
WAY-385452
csChFnd80/11182011152D

 25 29  0  0  0  0  0  0  0  0999 V2000
    0.9165   -1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -1.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2123   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540   -1.6438    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3790   -0.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0165   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1460   -0.5980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627    0.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290   -2.4105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1377   -1.8105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165   -2.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210    1.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460   -0.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1585    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127    0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335    1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710    1.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4540    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9460    2.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2335    2.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2960    1.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3127    3.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1373    0.1770    0.0000 C   0  0  0  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 10  1  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 13  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  5  1  0  0  0  0
 20 22  1  0  0  0  0
 21  6  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 19  1  0  0  0  0
  6  4  1  0  0  0  0
 25 21  1  0  0  0  0
 11  9  2  0  0  0  0
 15  8  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C19H20N4OS

>  <MolWeight> (655)
352.4533

>  <PCAT_CMPD_ID> (655)
WAY-385452

>  <CNC_ID> (655)
359401331

>  <transfer_container_id> (655)
PTN000000072

>  <COMPOUND_NUMBER> (655)
WAY-385452

>  <BAR_CODE_NO> (655)
2547583

>  <LOCATION_CODE> (655)
PTNCS

>  <AMOUNT_CURRENT> (655)
33

$$$$
WAY-385457
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.3750   -7.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -5.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -5.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -7.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -9.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -3.4167    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  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  5  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 12  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 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  2  0  0  0  0
  9  7  1  0  0  0  0
 10 11  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C13H13N5O

>  <MolWeight> (656)
255.27522

>  <PCAT_CMPD_ID> (656)
WAY-385457

>  <CNC_ID> (656)
359401336

>  <transfer_container_id> (656)
PTN000000072

>  <COMPOUND_NUMBER> (656)
WAY-385457

>  <BAR_CODE_NO> (656)
2547579

>  <LOCATION_CODE> (656)
PTNCS

>  <AMOUNT_CURRENT> (656)
32.8

$$$$
WAY-385468
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.8500   -6.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -5.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3792  -10.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9375   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -4.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    5.6042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8417  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417  -11.6000    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  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6 14  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  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 21  1  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  4  1  0  0  0  0
 24 12  1  0  0  0  0
 25 12  1  0  0  0  0
  9  4  1  0  0  0  0
 12 16  1  0  0  0  0
 19 11  2  0  0  0  0
M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C19H25ClN2O3

>  <MolWeight> (657)
364.8664

>  <PCAT_CMPD_ID> (657)
WAY-385468

>  <CNC_ID> (657)
359401347

>  <transfer_container_id> (657)
PTN000000072

>  <COMPOUND_NUMBER> (657)
WAY-385468

>  <BAR_CODE_NO> (657)
2547558

>  <LOCATION_CODE> (657)
PTNCS

>  <AMOUNT_CURRENT> (657)
32.3

$$$$
WAY-385534
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.9542   -1.3417    0.0000 N   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
    4.4417   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -2.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -2.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    3.8958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.1750    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
    0.4375   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -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  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  2  0  0  0  0
 23 12  2  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C18H14ClN5O

>  <MolWeight> (658)
351.78966

>  <PCAT_CMPD_ID> (658)
WAY-385534

>  <CNC_ID> (658)
359401364

>  <transfer_container_id> (658)
PTN000000072

>  <COMPOUND_NUMBER> (658)
WAY-385534

>  <BAR_CODE_NO> (658)
2547588

>  <LOCATION_CODE> (658)
PTNCS

>  <AMOUNT_CURRENT> (658)
29.7

$$$$
WL-139277
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.5911    1.2826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    1.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567    0.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3261    1.3033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980    1.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9567    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0911   -0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325    0.1206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6399    0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8468    2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7118    2.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5808    3.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0015   -0.7967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5364    0.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463    3.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7325   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636   -2.2346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5808   -0.9277    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813   -2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9364   -2.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537   -3.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8847   -1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6606   -0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5261   -1.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4744   -1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192   -0.5311    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  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  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  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C19H17ClN4O2S

>  <MolWeight> (659)
400.88188

>  <PCAT_CMPD_ID> (659)
WL-139277

>  <CNC_ID> (659)
359407634

>  <transfer_container_id> (659)
PTN000000072

>  <COMPOUND_NUMBER> (659)
WL-139277

>  <BAR_CODE_NO> (659)
3907815

>  <LOCATION_CODE> (659)
PTNCS

>  <AMOUNT_CURRENT> (659)
33.5

$$$$
WL-144324
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.4875    1.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280    0.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280   -0.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5281   -1.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280   -1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -1.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7275   -1.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -0.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9406   -0.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1056   -0.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079    0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941    1.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2253    0.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6801    1.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0456    1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  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  8  1  0  0  0  0
  8  9  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 13  2  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 11  2  1  0  0  0  0
  1 10  2  0  0  0  0
M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C15H16O3

>  <MolWeight> (660)
244.28574

>  <PCAT_CMPD_ID> (660)
WL-144324

>  <CNC_ID> (660)
359407635

>  <transfer_container_id> (660)
PTN000000072

>  <COMPOUND_NUMBER> (660)
WL-144324

>  <BAR_CODE_NO> (660)
3906524

>  <LOCATION_CODE> (660)
PTNCS

>  <AMOUNT_CURRENT> (660)
33.5

$$$$
CL-352255
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0211   -0.6782    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3101   -1.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -1.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674    0.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3101   -2.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -2.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359   -0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4027    1.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211   -3.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6454   -3.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0187   -1.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106   -3.7322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9176   -1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033    0.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238    3.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2553    3.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060   -3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187   -3.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222    4.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1139   -3.6859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3077   -4.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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> (661)
661

>  <Formula> (661)
C18H17NO4

>  <MolWeight> (661)
311.33188

>  <PCAT_CMPD_ID> (661)
CL-352255

>  <CNC_ID> (661)
359407671

>  <transfer_container_id> (661)
PTN000000073

>  <COMPOUND_NUMBER> (661)
CL-352255

>  <BAR_CODE_NO> (661)
3909712

>  <LOCATION_CODE> (661)
PTNCS

>  <AMOUNT_CURRENT> (661)
33.3

$$$$
CL-405794
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.1619    0.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584   -0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4726   -0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1619    1.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795   -0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4726   -1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450    1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688    1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3791   -0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688    1.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3688   -2.4553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3515   -2.4553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933   -0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795   -2.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4657   -2.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450    2.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688    2.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3791   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3791   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933   -1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002   -0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0826    3.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3791   -2.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3929   -0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002   -2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5071   -0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0826    4.3723    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.3929   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5071   -1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136    5.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761    5.2482    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  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  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
 11 22  2  0  0  0  0
 15 23  2  0  0  0  0
 15 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  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  2  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  1  0  0  0  0
 27 31  2  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C25H15NO8

>  <MolWeight> (662)
457.3885

>  <PCAT_CMPD_ID> (662)
CL-405794

>  <CNC_ID> (662)
359407693

>  <transfer_container_id> (662)
PTN000000073

>  <COMPOUND_NUMBER> (662)
CL-405794

>  <BAR_CODE_NO> (662)
3910034

>  <LOCATION_CODE> (662)
PTNCS

>  <AMOUNT_CURRENT> (662)
33.7

$$$$
CL-412729
csChFnd80/11182011152D

 32 37  0  0  0  0  0  0  0  0999 V2000
    3.0928    2.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6030    2.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0385    0.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733    3.3526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4366    1.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2614    4.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5245    0.5376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733    0.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3383    2.5008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9588    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8441    4.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164   -0.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3383    0.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6112    3.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967    0.1993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486   -1.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713   -3.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486    0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9775   -2.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0258    0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713    0.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3427   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9111   -3.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3427    0.1993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0258    2.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713    2.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6112   -2.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2762   -4.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908    3.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6112   -3.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 20 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
 23 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 30  2  0  0  0  0
 27 31  2  0  0  0  0
 29 32  2  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
 24 26  1  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C24H17N5OS2

>  <MolWeight> (663)
455.55468

>  <PCAT_CMPD_ID> (663)
CL-412729

>  <CNC_ID> (663)
359407700

>  <transfer_container_id> (663)
PTN000000073

>  <COMPOUND_NUMBER> (663)
CL-412729

>  <BAR_CODE_NO> (663)
3909637

>  <LOCATION_CODE> (663)
PTNCS

>  <AMOUNT_CURRENT> (663)
33.3

$$$$
CL-415334
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.2653   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554   -1.2517    0.0000 N   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
   -1.5653   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2485    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968    0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6485   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5653   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2136    0.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864    1.8966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105    2.1034    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  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  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 15 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
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (664)
664

>  <Formula> (664)
C14H15N3OS

>  <MolWeight> (664)
273.3534

>  <PCAT_CMPD_ID> (664)
CL-415334

>  <CNC_ID> (664)
359407708

>  <transfer_container_id> (664)
PTN000000073

>  <COMPOUND_NUMBER> (664)
CL-415334

>  <BAR_CODE_NO> (664)
3911252

>  <LOCATION_CODE> (664)
PTNCS

>  <AMOUNT_CURRENT> (664)
33.5

$$$$
CL-418428
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.3113    0.7945    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6707    0.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.0383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3113   -0.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290    2.5030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6707   -0.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8576    1.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -1.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096   -1.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8423    2.5652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8576   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0302    0.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0007    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -2.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0302   -0.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4458   -0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0584    1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9390   -1.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5612    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0302   -0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  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
  9 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
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  2  0  0  0  0
 13 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C16H13N3OS

>  <MolWeight> (665)
295.35892

>  <PCAT_CMPD_ID> (665)
CL-418428

>  <CNC_ID> (665)
359407714

>  <transfer_container_id> (665)
PTN000000073

>  <COMPOUND_NUMBER> (665)
CL-418428

>  <BAR_CODE_NO> (665)
3909623

>  <LOCATION_CODE> (665)
PTNCS

>  <AMOUNT_CURRENT> (665)
33.2

$$$$
CL-420149
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.5067    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860    0.6654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067    2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343   -0.0346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3550    1.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9860   -0.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    3.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067   -1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9657    0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    2.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1170   -0.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -2.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9657   -0.6863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1140    1.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1170   -1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1140   -1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347   -1.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1450   -2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347   -2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9657   -3.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 16 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 13  2  0  0  0  0
 15 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (666)
666

>  <Formula> (666)
C17H24N2O3S

>  <MolWeight> (666)
336.44906

>  <PCAT_CMPD_ID> (666)
CL-420149

>  <CNC_ID> (666)
359407716

>  <transfer_container_id> (666)
PTN000000073

>  <COMPOUND_NUMBER> (666)
CL-420149

>  <BAR_CODE_NO> (666)
3910058

>  <LOCATION_CODE> (666)
PTNCS

>  <AMOUNT_CURRENT> (666)
33.8

$$$$
CL-805459
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.8343    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627   -1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0705    0.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187    0.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717   -1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0554    2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337    2.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4824   -0.8631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -2.9511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    2.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5842   -1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7601   -0.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5842   -2.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    0.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059   -1.5151    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0705    0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0705   -0.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
 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 10  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (667)
667

>  <Formula> (667)
C12H10N2OS2

>  <MolWeight> (667)
262.3506

>  <PCAT_CMPD_ID> (667)
CL-805459

>  <CNC_ID> (667)
359407747

>  <transfer_container_id> (667)
PTN000000073

>  <COMPOUND_NUMBER> (667)
CL-805459

>  <BAR_CODE_NO> (667)
3911187

>  <LOCATION_CODE> (667)
PTNCS

>  <AMOUNT_CURRENT> (667)
33.2

$$$$
CL-90904
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.9744   -0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5354   -0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004   -0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9074    0.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3464    0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8814    0.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2876   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5256   -1.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1806    0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6486    0.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3026   -0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8346   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746    0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204    0.3412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1674    0.9202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  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  6  1  0  0  0  0
  6 18  1  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  1  0  0  0  0
 10 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 18 19  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C16H18N2O

>  <MolWeight> (668)
254.32692

>  <PCAT_CMPD_ID> (668)
CL-90904

>  <CNC_ID> (668)
359407750

>  <transfer_container_id> (668)
PTN000000073

>  <COMPOUND_NUMBER> (668)
CL-90904

>  <BAR_CODE_NO> (668)
3909138

>  <LOCATION_CODE> (668)
PTNCS

>  <AMOUNT_CURRENT> (668)
33.6

$$$$
GI-504350
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.1542   -1.6292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -3.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -3.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -1.1833    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  2  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  2  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
  5  4  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C9H8N2O2

>  <MolWeight> (669)
176.17202

>  <PCAT_CMPD_ID> (669)
GI-504350

>  <CNC_ID> (669)
359407753

>  <transfer_container_id> (669)
PTN000000073

>  <COMPOUND_NUMBER> (669)
GI-504350

>  <BAR_CODE_NO> (669)
3910909

>  <LOCATION_CODE> (669)
PTNCS

>  <AMOUNT_CURRENT> (669)
33.1

$$$$
GI-505743
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.1594   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905   -0.6635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284    1.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2594   -0.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0767   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1974    1.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077   -2.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767   -2.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3284    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0475   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0475   -0.6773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475   -2.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475    1.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2302   -0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2613    1.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3302   -0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3302    1.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2785    3.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
 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
  7 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (670)
670

>  <Formula> (670)
C17H18N2O2

>  <MolWeight> (670)
282.33702

>  <PCAT_CMPD_ID> (670)
GI-505743

>  <CNC_ID> (670)
359407754

>  <transfer_container_id> (670)
PTN000000073

>  <COMPOUND_NUMBER> (670)
GI-505743

>  <BAR_CODE_NO> (670)
3909576

>  <LOCATION_CODE> (670)
PTNCS

>  <AMOUNT_CURRENT> (670)
33.3

$$$$
GI-555709
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.7757    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    1.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    1.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036   -1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550   -1.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8343    0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    1.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1860    0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450   -1.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8653    1.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8653   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140   -1.2757    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
  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
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C14H12O3

>  <MolWeight> (671)
228.24328

>  <PCAT_CMPD_ID> (671)
GI-555709

>  <CNC_ID> (671)
359407762

>  <transfer_container_id> (671)
PTN000000073

>  <COMPOUND_NUMBER> (671)
GI-555709

>  <BAR_CODE_NO> (671)
3910596

>  <LOCATION_CODE> (671)
PTNCS

>  <AMOUNT_CURRENT> (671)
33.1

$$$$
WAY-112266
csChFnd80/11182011152D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4364    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192    2.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    2.1179    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7450    4.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    2.8152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6891    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9676    4.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9977    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2202    6.9391    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  3  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  5  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
 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (672)
672

>  <Formula> (672)
C8H14N2O3

>  <MolWeight> (672)
186.20836

>  <PCAT_CMPD_ID> (672)
WAY-112266

>  <CNC_ID> (672)
359407788

>  <transfer_container_id> (672)
PTN000000073

>  <COMPOUND_NUMBER> (672)
WAY-112266

>  <BAR_CODE_NO> (672)
3909716

>  <LOCATION_CODE> (672)
PTNCS

>  <AMOUNT_CURRENT> (672)
33.3

$$$$
WAY-112809
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.9310    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    0.9036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -1.4929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -1.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4241   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103    1.2071    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7276    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -1.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2276    0.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103    2.7071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2724    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2724   -1.5895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0483   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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  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
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  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> (673)
673

>  <Formula> (673)
C12H8N4O2

>  <MolWeight> (673)
240.21752

>  <PCAT_CMPD_ID> (673)
WAY-112809

>  <CNC_ID> (673)
359407794

>  <transfer_container_id> (673)
PTN000000073

>  <COMPOUND_NUMBER> (673)
WAY-112809

>  <BAR_CODE_NO> (673)
3910778

>  <LOCATION_CODE> (673)
PTNCS

>  <AMOUNT_CURRENT> (673)
33.3

$$$$
WAY-114700
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0030    0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5832   -0.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168    1.1067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    0.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5927   -0.7588    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7349    1.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -1.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7349   -0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6651   -0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176    0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824   -1.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168   -0.2450    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
  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  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
  5  9  2  0  0  0  0
  7 11  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C12H8N2O3S

>  <MolWeight> (674)
260.26852

>  <PCAT_CMPD_ID> (674)
WAY-114700

>  <CNC_ID> (674)
359407809

>  <transfer_container_id> (674)
PTN000000073

>  <COMPOUND_NUMBER> (674)
WAY-114700

>  <BAR_CODE_NO> (674)
3909984

>  <LOCATION_CODE> (674)
PTNCS

>  <AMOUNT_CURRENT> (674)
33.4

$$$$
WAY-118204
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   12.4990  -13.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990  -12.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6735  -11.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1495  -12.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6510  -14.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8480  -12.0470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1495  -13.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3245  -11.3620    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3015  -14.0725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8480  -13.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750  -11.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750  -14.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8005  -13.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8005  -12.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.1025    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6960  -10.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9525   -9.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3245  -10.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810  -14.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450  -13.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1725   -9.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990   -9.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5215   -7.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1495   -7.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3470   -7.2960    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  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  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  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  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  8  1  0  0  0  0
 19 13  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 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
  8  4  1  0  0  0  0
  3  6  1  0  0  0  0
 11 14  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (675)
675

>  <Formula> (675)
C19H19N3O2S

>  <MolWeight> (675)
353.43806

>  <PCAT_CMPD_ID> (675)
WAY-118204

>  <CNC_ID> (675)
359407845

>  <transfer_container_id> (675)
PTN000000073

>  <COMPOUND_NUMBER> (675)
WAY-118204

>  <BAR_CODE_NO> (675)
3911181

>  <LOCATION_CODE> (675)
PTNCS

>  <AMOUNT_CURRENT> (675)
33.4

$$$$
WAY-118226
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7869   -0.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455   -1.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3062   -0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5800    0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2731   -1.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4076   -2.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662   -1.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7028   -2.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1855   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    0.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1972   -1.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821    0.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9717   -1.8932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5697    0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248   -0.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028    0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6062    0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8510    1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8648    1.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9786    2.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2234    3.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2407    4.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C19H21NO4

>  <MolWeight> (676)
327.37434

>  <PCAT_CMPD_ID> (676)
WAY-118226

>  <CNC_ID> (676)
359407846

>  <transfer_container_id> (676)
PTN000000073

>  <COMPOUND_NUMBER> (676)
WAY-118226

>  <BAR_CODE_NO> (676)
3910220

>  <LOCATION_CODE> (676)
PTNCS

>  <AMOUNT_CURRENT> (676)
33.7

$$$$
WAY-118451
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5998   -0.2409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964   -0.6650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308    0.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1519   -0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2205   -1.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7998   -0.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8688   -1.1892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998   -1.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0308   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036    0.6143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998   -2.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205   -2.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1998   -3.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    1.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519    0.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554    2.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795    2.5108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002    3.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312    3.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (677)
677

>  <Formula> (677)
C15H16N2O3S2

>  <MolWeight> (677)
336.42914

>  <PCAT_CMPD_ID> (677)
WAY-118451

>  <CNC_ID> (677)
359407852

>  <transfer_container_id> (677)
PTN000000073

>  <COMPOUND_NUMBER> (677)
WAY-118451

>  <BAR_CODE_NO> (677)
3909710

>  <LOCATION_CODE> (677)
PTNCS

>  <AMOUNT_CURRENT> (677)
33

$$$$
WAY-118673-A
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.3815    0.3568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1727    1.2609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4231   -0.2432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1393    0.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6602    0.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898    0.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3815   -0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518    1.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1727    0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6977    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4231    0.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8898   -0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690   -2.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0023   -2.3432    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185    1.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4231   -2.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4231   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -2.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185    0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7394    0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477    1.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2602    0.6651    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  4  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  3  1  0  0  0  0
 10  5  1  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  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 13  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
  3 14  1  0  0  0  0
  2 10  1  0  0  0  0
 22 17  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (678)
678

>  <Formula> (678)
C23H30FN3

>  <MolWeight> (678)
367.5028032

>  <PCAT_CMPD_ID> (678)
WAY-118673-A

>  <CNC_ID> (678)
359407856

>  <transfer_container_id> (678)
PTN000000073

>  <COMPOUND_NUMBER> (678)
WAY-118673-A

>  <BAR_CODE_NO> (678)
3909446

>  <LOCATION_CODE> (678)
PTNCS

>  <AMOUNT_CURRENT> (678)
33.4

$$$$
WAY-119052
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.0655    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    1.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    1.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276    1.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    0.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -1.6312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    1.1412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897    1.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -1.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -2.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -1.6588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -3.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    1.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6966    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C15H18N2O4

>  <MolWeight> (679)
290.31442

>  <PCAT_CMPD_ID> (679)
WAY-119052

>  <CNC_ID> (679)
359407859

>  <transfer_container_id> (679)
PTN000000073

>  <COMPOUND_NUMBER> (679)
WAY-119052

>  <BAR_CODE_NO> (679)
3910015

>  <LOCATION_CODE> (679)
PTNCS

>  <AMOUNT_CURRENT> (679)
33.2

$$$$
WAY-216032
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.7035   -7.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0765   -5.3395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1560   -5.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6070   -4.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5290   -7.0460    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6535   -8.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285   -8.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5785   -8.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6070   -2.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6235   -9.6475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750  -10.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430   -6.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490   -4.7735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805   -8.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8015   -4.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1905   -7.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8300  -10.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3765   -8.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1665   -2.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7050  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750   -0.6665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4260   -9.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8795  -11.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7545  -12.8965    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9100   -2.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9335    0.5110    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  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 16 12  1  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 25  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 19  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
 14 16  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C20H21FN2O4

>  <MolWeight> (680)
372.3901432

>  <PCAT_CMPD_ID> (680)
WAY-216032

>  <CNC_ID> (680)
359407889

>  <transfer_container_id> (680)
PTN000000073

>  <COMPOUND_NUMBER> (680)
WAY-216032

>  <BAR_CODE_NO> (680)
3909856

>  <LOCATION_CODE> (680)
PTNCS

>  <AMOUNT_CURRENT> (680)
33

$$$$
WAY-216125
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.3775   -6.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2595   -4.1075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7370   -4.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5040   -2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5640   -6.1395    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0745   -7.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225   -7.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370   -0.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8995   -7.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940    1.4575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9980   -7.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9140   -9.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -3.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3465   -3.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4100    5.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600   -5.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075   -9.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8325   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8925   -5.7420    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5460   -9.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150   -5.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8975   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5935   -6.8570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8950   -9.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5030    2.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8040    2.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3230    5.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2345   -9.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1540  -11.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3070  -11.5280    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  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10 23  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14  2  1  0  0  0  0
 15 28  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  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 19  1  0  0  0  0
 25  7  2  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 11  2  0  0  0  0
 31 25  1  0  0  0  0
 32 31  2  0  0  0  0
  2  4  1  0  0  0  0
 22 19  2  0  0  0  0
 30 32  1  0  0  0  0
 29 15  1  0  0  0  0
M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C24H24ClFN2O4

>  <MolWeight> (681)
458.9097632

>  <PCAT_CMPD_ID> (681)
WAY-216125

>  <CNC_ID> (681)
359407896

>  <transfer_container_id> (681)
PTN000000073

>  <COMPOUND_NUMBER> (681)
WAY-216125

>  <BAR_CODE_NO> (681)
3911110

>  <LOCATION_CODE> (681)
PTNCS

>  <AMOUNT_CURRENT> (681)
33

$$$$
WAY-229453-A
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.7377    0.3064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274    0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1377    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3757   -0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274    1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6274    0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377    1.9685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140    1.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450   -0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6274    2.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5274    0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3140   -0.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5274    1.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140   -2.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0347   -2.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519    2.9581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6519   -3.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933   -2.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6726   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  9 14  2  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
 13 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
  5  7  1  0  0  0  0
 11 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C17H17N3O2

>  <MolWeight> (682)
295.33578

>  <PCAT_CMPD_ID> (682)
WAY-229453-A

>  <CNC_ID> (682)
359408008

>  <transfer_container_id> (682)
PTN000000073

>  <COMPOUND_NUMBER> (682)
WAY-229453-A

>  <BAR_CODE_NO> (682)
3910830

>  <LOCATION_CODE> (682)
PTNCS

>  <AMOUNT_CURRENT> (682)
33.9

$$$$
WAY-229764
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.0012    7.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    5.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    6.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4305    7.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7141    7.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7116    8.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1445    7.4684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4259    8.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8569    7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8550    6.2338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5632    5.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2779    6.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2798    7.0540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5670    7.4696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9919    5.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5579    5.0000    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
  6  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
 10 11  1  0  0  0  0
 10 15  2  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
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C11H12N4O2

>  <MolWeight> (683)
232.23858

>  <PCAT_CMPD_ID> (683)
WAY-229764

>  <CNC_ID> (683)
359408014

>  <transfer_container_id> (683)
PTN000000073

>  <COMPOUND_NUMBER> (683)
WAY-229764

>  <BAR_CODE_NO> (683)
3909334

>  <LOCATION_CODE> (683)
PTNCS

>  <AMOUNT_CURRENT> (683)
33.9

$$$$
WAY-233257
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.7335   -4.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5010   -2.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900   -6.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425   -3.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7800   -3.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9095   -3.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170   -4.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395   -6.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3275   -2.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0880   -0.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5185   -1.9465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4255   -4.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8485   -1.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8730   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165   -2.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3985   -4.8510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.2960    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5550   -1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445   -3.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9095   -7.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   -4.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7335   -6.5820    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 11  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  1  0  0  0  0
 10  2  2  0  0  0  0
 11 15  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  2  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  2  0  0  0  0
  8  7  2  0  0  0  0
 18 14  2  0  0  0  0
 22 21  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C17H10BrNO3

>  <MolWeight> (684)
356.1702

>  <PCAT_CMPD_ID> (684)
WAY-233257

>  <CNC_ID> (684)
359408040

>  <transfer_container_id> (684)
PTN000000073

>  <COMPOUND_NUMBER> (684)
WAY-233257

>  <BAR_CODE_NO> (684)
3909426

>  <LOCATION_CODE> (684)
PTNCS

>  <AMOUNT_CURRENT> (684)
33.6

$$$$
WAY-235139
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.7475    9.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7475   13.7390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2545   11.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   10.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   12.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    7.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7475    5.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0550    3.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9595    5.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9595    1.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7475    1.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    3.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1385   10.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770    9.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770   14.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   11.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3160    3.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0550    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0670   10.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1065   11.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4810    1.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3160    0.0000    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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9  7  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
 13  3  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  8  1  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 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
  2  5  1  0  0  0  0
 15 22  1  0  0  0  0
  8 10  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C21H20N2O

>  <MolWeight> (685)
316.3963

>  <PCAT_CMPD_ID> (685)
WAY-235139

>  <CNC_ID> (685)
359408055

>  <transfer_container_id> (685)
PTN000000073

>  <COMPOUND_NUMBER> (685)
WAY-235139

>  <BAR_CODE_NO> (685)
3909440

>  <LOCATION_CODE> (685)
PTNCS

>  <AMOUNT_CURRENT> (685)
33.5

$$$$
WAY-235143
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.1382    1.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2100    2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618    0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    3.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    1.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210    3.9313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1658    3.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382   -0.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6411    2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3762    2.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652   -1.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279   -0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6411    3.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382   -3.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348   -1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348   -3.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618   -4.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348   -4.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382   -5.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5486   -5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  2  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
 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
 11 15  2  0  0  0  0
 17 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C19H16N2O

>  <MolWeight> (686)
288.34314

>  <PCAT_CMPD_ID> (686)
WAY-235143

>  <CNC_ID> (686)
359408056

>  <transfer_container_id> (686)
PTN000000073

>  <COMPOUND_NUMBER> (686)
WAY-235143

>  <BAR_CODE_NO> (686)
3910776

>  <LOCATION_CODE> (686)
PTNCS

>  <AMOUNT_CURRENT> (686)
33.4

$$$$
WAY-235614
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.8812    3.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796    4.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0892    4.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    3.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7893    2.8427    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2407    3.2032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5394    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3034    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8990    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622    6.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0526    2.2142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174    3.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4374    0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2801    0.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1650    1.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7783    7.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735    5.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8229    5.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699    4.3464    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.9860    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  7  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  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  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 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 20  1  0  0  0  0
  4  3  2  0  0  0  0
 20 19  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C15H15NO3S2

>  <MolWeight> (687)
321.4145

>  <PCAT_CMPD_ID> (687)
WAY-235614

>  <CNC_ID> (687)
359408057

>  <transfer_container_id> (687)
PTN000000073

>  <COMPOUND_NUMBER> (687)
WAY-235614

>  <BAR_CODE_NO> (687)
3909341

>  <LOCATION_CODE> (687)
PTNCS

>  <AMOUNT_CURRENT> (687)
33.5

$$$$
WAY-236867
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5886    9.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    8.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740    5.4915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    9.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1339    9.1732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7536    4.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8429    7.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197    7.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5149    6.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458    5.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6372   10.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410   11.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427   11.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050    3.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0974    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3284    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9846    1.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3770    2.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    0.0000    0.0000 F   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  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  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  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
 13 14  2  0  0  0  0
  3 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (688)
688

>  <Formula> (688)
C15H15FN2OS

>  <MolWeight> (688)
290.3558032

>  <PCAT_CMPD_ID> (688)
WAY-236867

>  <CNC_ID> (688)
359408068

>  <transfer_container_id> (688)
PTN000000073

>  <COMPOUND_NUMBER> (688)
WAY-236867

>  <BAR_CODE_NO> (688)
3909464

>  <LOCATION_CODE> (688)
PTNCS

>  <AMOUNT_CURRENT> (688)
33.1

$$$$
WAY-237091
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2199   -0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    0.5573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499   -0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999   -0.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1889   -0.0128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1999    0.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9999    0.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3701    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209   -0.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    0.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3871    0.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311    0.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0661   -0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4961   -0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5101   -0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011    0.4463    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  4  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  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
 14 13  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
  7  5  2  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (689)
689

>  <Formula> (689)
C10H10N4O2

>  <MolWeight> (689)
218.212

>  <PCAT_CMPD_ID> (689)
WAY-237091

>  <CNC_ID> (689)
359408069

>  <transfer_container_id> (689)
PTN000000073

>  <COMPOUND_NUMBER> (689)
WAY-237091

>  <BAR_CODE_NO> (689)
3910992

>  <LOCATION_CODE> (689)
PTNCS

>  <AMOUNT_CURRENT> (689)
33.3

$$$$
WAY-237218
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1825    0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307    0.8626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5273    0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4825    0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307    1.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5273   -0.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307   -0.6409    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175    0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    0.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4825    1.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    1.6108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693   -0.6409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0693   -0.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1486   -1.3892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7555   -0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -1.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2555   -0.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865   -2.2236    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  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
 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  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (690)
690

>  <Formula> (690)
C15H14BrClN2O3

>  <MolWeight> (690)
385.64026

>  <PCAT_CMPD_ID> (690)
WAY-237218

>  <CNC_ID> (690)
359408070

>  <transfer_container_id> (690)
PTN000000073

>  <COMPOUND_NUMBER> (690)
WAY-237218

>  <BAR_CODE_NO> (690)
3910962

>  <LOCATION_CODE> (690)
PTNCS

>  <AMOUNT_CURRENT> (690)
33.7

$$$$
WAY-237262
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1195    0.7847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298    1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1195   -0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3195    1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298    2.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298   -1.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3195   -1.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3195    2.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1195    3.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633    3.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667    1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667   -0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667    2.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -1.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702   -3.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -0.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -3.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771   -1.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771   -2.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  7 13  1  0  0  0  0
  7 14  2  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
 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
  9 10  1  0  0  0  0
 12 15  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (691)
691

>  <Formula> (691)
C18H19NO3

>  <MolWeight> (691)
297.34836

>  <PCAT_CMPD_ID> (691)
WAY-237262

>  <CNC_ID> (691)
359408071

>  <transfer_container_id> (691)
PTN000000073

>  <COMPOUND_NUMBER> (691)
WAY-237262

>  <BAR_CODE_NO> (691)
3909067

>  <LOCATION_CODE> (691)
PTNCS

>  <AMOUNT_CURRENT> (691)
33.5

$$$$
WAY-237727
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.0516   -0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930    0.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999    0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585   -1.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9482   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9896    1.5967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8415   -0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1068   -1.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8930    0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0378    2.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0896    1.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5447    2.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8277   -1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8309   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758    1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -1.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7827    0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8137    2.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173   -1.1620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -2.7965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7758    1.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6656   -1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070   -1.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5449   -1.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070   -0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4829   -1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5518    0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4932   -0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  6 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  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  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  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
  8 13  1  0  0  0  0
 18 21  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (692)
692

>  <Formula> (692)
C22H22N2O3S

>  <MolWeight> (692)
394.48668

>  <PCAT_CMPD_ID> (692)
WAY-237727

>  <CNC_ID> (692)
359408079

>  <transfer_container_id> (692)
PTN000000073

>  <COMPOUND_NUMBER> (692)
WAY-237727

>  <BAR_CODE_NO> (692)
3910801

>  <LOCATION_CODE> (692)
PTNCS

>  <AMOUNT_CURRENT> (692)
33.5

$$$$
WAY-239352
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.1800    1.2254    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    1.9289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1271    4.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8713    3.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    2.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1647    5.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    4.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8713    1.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    3.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2328    8.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    6.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3751    6.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    7.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    7.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3086    9.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5262   10.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1059   10.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1436   11.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5566   11.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3539   12.4354    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  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  5  1  0  0  0  0
 11  6  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 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  4 10  1  0  0  0  0
 13 17  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (693)
693

>  <Formula> (693)
C18H20N2O3S

>  <MolWeight> (693)
344.428

>  <PCAT_CMPD_ID> (693)
WAY-239352

>  <CNC_ID> (693)
359408093

>  <transfer_container_id> (693)
PTN000000073

>  <COMPOUND_NUMBER> (693)
WAY-239352

>  <BAR_CODE_NO> (693)
3909726

>  <LOCATION_CODE> (693)
PTNCS

>  <AMOUNT_CURRENT> (693)
33.8

$$$$
WAY-240044
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    5.6625   -6.0645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0295   -7.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220   -3.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3865   -3.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600   -2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0045  -10.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4460   -6.0645    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2805   -7.8680    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400  -10.0615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435  -11.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630   -3.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1405  -10.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790   -7.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5570   -3.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0805   -0.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025   -4.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6460  -12.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485   -0.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1380   -7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -9.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920    0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0560   -0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8635   -9.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8270    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515  -11.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385    1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865    2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655  -11.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435  -13.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980    5.7085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9180  -13.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925  -13.1400    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  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  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  6  1  0  0  0  0
 13  7  1  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  2  0  0  0  0
 18  5  1  0  0  0  0
 19 13  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 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 22  2  0  0  0  0
 27 21  1  0  0  0  0
 28 19  1  0  0  0  0
 29 20  2  0  0  0  0
 30 10  1  0  0  0  0
 31 24  1  0  0  0  0
 32 25  1  0  0  0  0
 33 23  1  0  0  0  0
 34 32  1  0  0  0  0
  3  5  2  0  0  0  0
  6 10  2  0  0  0  0
 25 28  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (694)
694

>  <Formula> (694)
C24H19ClN2O6S

>  <MolWeight> (694)
498.93546

>  <PCAT_CMPD_ID> (694)
WAY-240044

>  <CNC_ID> (694)
359408107

>  <transfer_container_id> (694)
PTN000000073

>  <COMPOUND_NUMBER> (694)
WAY-240044

>  <BAR_CODE_NO> (694)
3911211

>  <LOCATION_CODE> (694)
PTNCS

>  <AMOUNT_CURRENT> (694)
33.4

$$$$
WAY-240321
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7309    0.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551    0.3484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1585   -0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1723    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9654    0.3415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551   -0.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8792    1.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277   -0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413    1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965   -0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4794    0.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6413    1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5930   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5829    0.3484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1792    0.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208   -0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2861    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346   -1.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829   -1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9587    0.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8587   -1.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9829   -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  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
 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
 19 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  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (695)
695

>  <Formula> (695)
C17H20N2O4S

>  <MolWeight> (695)
348.4167

>  <PCAT_CMPD_ID> (695)
WAY-240321

>  <CNC_ID> (695)
359408109

>  <transfer_container_id> (695)
PTN000000073

>  <COMPOUND_NUMBER> (695)
WAY-240321

>  <BAR_CODE_NO> (695)
3910795

>  <LOCATION_CODE> (695)
PTNCS

>  <AMOUNT_CURRENT> (695)
33.5

$$$$
WAY-240561
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.9069    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947    2.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1577    0.2540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0584    1.3393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2732    2.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2585    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947    4.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2585    2.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7581    3.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2278    4.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8262    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  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  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 14  1  0  0  0  0
  9  8  2  0  0  0  0
  3  6  2  0  0  0  0
M  END
>  <Mol_ID> (696)
696

>  <Formula> (696)
C11H14N2O2

>  <MolWeight> (696)
206.24106

>  <PCAT_CMPD_ID> (696)
WAY-240561

>  <CNC_ID> (696)
359408117

>  <transfer_container_id> (696)
PTN000000073

>  <COMPOUND_NUMBER> (696)
WAY-240561

>  <BAR_CODE_NO> (696)
3909859

>  <LOCATION_CODE> (696)
PTNCS

>  <AMOUNT_CURRENT> (696)
33.4

$$$$
WAY-241104
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0247    4.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247    2.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935    4.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    2.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197    3.6846    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    3.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7018    6.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7018    1.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3954    7.2837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9804    3.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0099    1.2457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7265    2.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6838    4.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530    2.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530    4.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8564    3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3487    3.7931    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  2  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  7  3  0  0  0  0
 10  8  3  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  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 18  1  0  0  0  0
  4  5  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (697)
697

>  <Formula> (697)
C14H12N4S

>  <MolWeight> (697)
268.33688

>  <PCAT_CMPD_ID> (697)
WAY-241104

>  <CNC_ID> (697)
359408122

>  <transfer_container_id> (697)
PTN000000073

>  <COMPOUND_NUMBER> (697)
WAY-241104

>  <BAR_CODE_NO> (697)
3909417

>  <LOCATION_CODE> (697)
PTNCS

>  <AMOUNT_CURRENT> (697)
33.6

$$$$
WAY-241364
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.4126    0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057    0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471   -0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9333   -0.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2712    1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5540   -1.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0712   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1081    0.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    1.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264    0.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643    1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885   -2.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0091   -2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7919    1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160   -2.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3495    0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1426    0.4429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8702    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2081   -0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6633    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0012   -0.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7288   -0.3192    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  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  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
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C21H26N2O2

>  <MolWeight> (698)
338.44334

>  <PCAT_CMPD_ID> (698)
WAY-241364

>  <CNC_ID> (698)
359408124

>  <transfer_container_id> (698)
PTN000000073

>  <COMPOUND_NUMBER> (698)
WAY-241364

>  <BAR_CODE_NO> (698)
3910817

>  <LOCATION_CODE> (698)
PTNCS

>  <AMOUNT_CURRENT> (698)
33.8

$$$$
WAY-243248
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.1188    1.2134    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3735    1.9440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0595    4.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8001    3.3275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2729    3.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3735    3.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5869    1.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8687    0.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5869    4.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8001    1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871    5.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953    1.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203    2.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2729    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953    4.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    3.3643    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  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  3  2  0  0  0  0
 13 15  2  0  0  0  0
 14  1  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  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
  4 10  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (699)
699

>  <Formula> (699)
C12H17N3O3S

>  <MolWeight> (699)
283.34668

>  <PCAT_CMPD_ID> (699)
WAY-243248

>  <CNC_ID> (699)
359408132

>  <transfer_container_id> (699)
PTN000000073

>  <COMPOUND_NUMBER> (699)
WAY-243248

>  <BAR_CODE_NO> (699)
3910940

>  <LOCATION_CODE> (699)
PTNCS

>  <AMOUNT_CURRENT> (699)
33.6

$$$$
WAY-246934
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2917   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3000   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.6792    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
    3.4542    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -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  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  2  1  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  3  1  0  0  0  0
 13 12  3  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 10  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 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23  8  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 24  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
 26 27  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C20H14N2O5

>  <MolWeight> (700)
362.33556

>  <PCAT_CMPD_ID> (700)
WAY-246934

>  <CNC_ID> (700)
359408136

>  <transfer_container_id> (700)
PTN000000073

>  <COMPOUND_NUMBER> (700)
WAY-246934

>  <BAR_CODE_NO> (700)
3909580

>  <LOCATION_CODE> (700)
PTNCS

>  <AMOUNT_CURRENT> (700)
33.3

$$$$
WAY-247454
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6167   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -2.8958    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -3.7208    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -1.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6583   -1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417   -2.5042    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  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 13  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 20  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 10  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 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
  2  6  1  0  0  0  0
 12 19  1  0  0  0  0
  7 14  2  0  0  0  0
M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C14H10N4O3S

>  <MolWeight> (701)
314.3192

>  <PCAT_CMPD_ID> (701)
WAY-247454

>  <CNC_ID> (701)
359408139

>  <transfer_container_id> (701)
PTN000000073

>  <COMPOUND_NUMBER> (701)
WAY-247454

>  <BAR_CODE_NO> (701)
3911148

>  <LOCATION_CODE> (701)
PTNCS

>  <AMOUNT_CURRENT> (701)
33.3

$$$$
WAY-305697
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.7724    0.2241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7724    1.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0586   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    1.4517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1690    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    2.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9103   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -1.4276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207   -1.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -2.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -2.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2517   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2517   -0.1724    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
  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
 15 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
 21 23  1  0  0  0  0
 21 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  1  0  0  0  0
 11 12  2  0  0  0  0
 14 17  1  0  0  0  0
 18 20  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C24H28N2O3S

>  <MolWeight> (702)
424.55572

>  <PCAT_CMPD_ID> (702)
WAY-305697

>  <CNC_ID> (702)
359408198

>  <transfer_container_id> (702)
PTN000000073

>  <COMPOUND_NUMBER> (702)
WAY-305697

>  <BAR_CODE_NO> (702)
3909018

>  <LOCATION_CODE> (702)
PTNCS

>  <AMOUNT_CURRENT> (702)
33.6

$$$$
WAY-305713-A
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5487    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7927    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8866    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7927   -1.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8866   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    3.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2280    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9383    3.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2280   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4720    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4720   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1176   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8030    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8030   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 11 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
 14 18  2  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> (703)
703

>  <Formula> (703)
C15H16N2O

>  <MolWeight> (703)
240.30034

>  <PCAT_CMPD_ID> (703)
WAY-305713-A

>  <CNC_ID> (703)
359408214

>  <transfer_container_id> (703)
PTN000000073

>  <COMPOUND_NUMBER> (703)
WAY-305713-A

>  <BAR_CODE_NO> (703)
3909038

>  <LOCATION_CODE> (703)
PTNCS

>  <AMOUNT_CURRENT> (703)
33.6

$$$$
WAY-305725
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.6069    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.6034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    3.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862    3.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    2.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966    3.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7310    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -2.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -3.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5448   -1.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5448   -4.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5448   -6.4103    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  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
 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
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C12H17N3O3S

>  <MolWeight> (704)
283.34668

>  <PCAT_CMPD_ID> (704)
WAY-305725

>  <CNC_ID> (704)
359408226

>  <transfer_container_id> (704)
PTN000000073

>  <COMPOUND_NUMBER> (704)
WAY-305725

>  <BAR_CODE_NO> (704)
3909051

>  <LOCATION_CODE> (704)
PTNCS

>  <AMOUNT_CURRENT> (704)
33.5

$$$$
WAY-305735
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6042    4.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2194    6.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616    4.9735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    5.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425    6.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9740    7.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585    7.5225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0947    4.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0835    8.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4680    8.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1418    7.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3811    2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8349    2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4169    9.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1931    9.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    6.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8349    0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3811    0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1275   11.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5266   11.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    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  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  6  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 10  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  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 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 14  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
  2  5  1  0  0  0  0
 20 23  2  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C18H17N3O2

>  <MolWeight> (705)
307.34648

>  <PCAT_CMPD_ID> (705)
WAY-305735

>  <CNC_ID> (705)
359408236

>  <transfer_container_id> (705)
PTN000000073

>  <COMPOUND_NUMBER> (705)
WAY-305735

>  <BAR_CODE_NO> (705)
3909064

>  <LOCATION_CODE> (705)
PTNCS

>  <AMOUNT_CURRENT> (705)
33.1

$$$$
WAY-305775
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.8483    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    1.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    2.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552    2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    2.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -0.4793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -1.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276   -1.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517   -1.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069   -1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448   -1.0966    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  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
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 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  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  7  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C18H12FN3OS

>  <MolWeight> (706)
337.3707832

>  <PCAT_CMPD_ID> (706)
WAY-305775

>  <CNC_ID> (706)
359408276

>  <transfer_container_id> (706)
PTN000000073

>  <COMPOUND_NUMBER> (706)
WAY-305775

>  <BAR_CODE_NO> (706)
3909108

>  <LOCATION_CODE> (706)
PTNCS

>  <AMOUNT_CURRENT> (706)
33.7

$$$$
WAY-305803
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -3.0828    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    0.6759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3621   -0.5655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7931    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5069    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    0.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310   -0.5621    0.0000 O   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
    1.2069    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -0.9655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448   -0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172   -1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448   -1.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0655   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    0.2828    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
  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
  9 15  1  0  0  0  0
  9 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
 24 27  1  0  0  0  0
 24 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
  8 14  2  0  0  0  0
 21 22  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C20H25N3O6S2

>  <MolWeight> (707)
467.559

>  <PCAT_CMPD_ID> (707)
WAY-305803

>  <CNC_ID> (707)
359408304

>  <transfer_container_id> (707)
PTN000000073

>  <COMPOUND_NUMBER> (707)
WAY-305803

>  <BAR_CODE_NO> (707)
3909137

>  <LOCATION_CODE> (707)
PTNCS

>  <AMOUNT_CURRENT> (707)
33.5

$$$$
WAY-305821
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.7820   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7820    0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8737   -1.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5471   -1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596   -0.5690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8737    1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6529    1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596    1.9894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737   -1.2106    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820    0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5471   -2.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6596    0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7638   -1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8737    2.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1154   -1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7638    1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8763   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8763    0.6977    0.0000 C   0  0  0  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  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  3  0  0  0  0
  9  1  1  0  0  0  0
 10  3  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  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  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 19  1  0  0  0  0
  6 12  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C15H19N3OS

>  <MolWeight> (708)
289.39586

>  <PCAT_CMPD_ID> (708)
WAY-305821

>  <CNC_ID> (708)
359408322

>  <transfer_container_id> (708)
PTN000000073

>  <COMPOUND_NUMBER> (708)
WAY-305821

>  <BAR_CODE_NO> (708)
3909159

>  <LOCATION_CODE> (708)
PTNCS

>  <AMOUNT_CURRENT> (708)
33.1

$$$$
WAY-305851
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.6690   -0.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -1.3483    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    1.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690   -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
  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  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
 24 25  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C19H17ClN4O

>  <MolWeight> (709)
352.81748

>  <PCAT_CMPD_ID> (709)
WAY-305851

>  <CNC_ID> (709)
359408352

>  <transfer_container_id> (709)
PTN000000073

>  <COMPOUND_NUMBER> (709)
WAY-305851

>  <BAR_CODE_NO> (709)
3909193

>  <LOCATION_CODE> (709)
PTNCS

>  <AMOUNT_CURRENT> (709)
33.3

$$$$
WAY-305878
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.3517   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    1.4517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -2.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    2.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    2.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    2.9034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    2.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379    1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 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  1  0  0  0  0
 19 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  9 10  1  0  0  0  0
 14 19  1  0  0  0  0
 20 22  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (710)
710

>  <Formula> (710)
C22H27N5O2S2

>  <MolWeight> (710)
457.61208

>  <PCAT_CMPD_ID> (710)
WAY-305878

>  <CNC_ID> (710)
359408379

>  <transfer_container_id> (710)
PTN000000073

>  <COMPOUND_NUMBER> (710)
WAY-305878

>  <BAR_CODE_NO> (710)
3909230

>  <LOCATION_CODE> (710)
PTNCS

>  <AMOUNT_CURRENT> (710)
33.8

$$$$
WAY-305879
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.0897   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -0.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -1.2793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7966    1.3828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -1.3655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517    0.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -1.0172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    0.9207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1793    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    1.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 11 14  1  0  0  0  0
 12 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
 16 19  2  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
 21 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
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 18 20  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C19H15Cl2NO3S2

>  <MolWeight> (711)
440.3633

>  <PCAT_CMPD_ID> (711)
WAY-305879

>  <CNC_ID> (711)
359408380

>  <transfer_container_id> (711)
PTN000000073

>  <COMPOUND_NUMBER> (711)
WAY-305879

>  <BAR_CODE_NO> (711)
3909231

>  <LOCATION_CODE> (711)
PTNCS

>  <AMOUNT_CURRENT> (711)
33.3

$$$$
WAY-305890
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.2657    0.2826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0657   -0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4174   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933    0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933    1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4174    1.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584    0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6933   -0.1830    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3032   -0.2692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584    1.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6933   -1.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4657    0.2826    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1826    0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -0.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9032    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -1.3554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929   -1.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9032   -1.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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
  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
 10 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  1  0  0  0  0
  5  6  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C11H12N4O3S

>  <MolWeight> (712)
280.30298

>  <PCAT_CMPD_ID> (712)
WAY-305890

>  <CNC_ID> (712)
359408391

>  <transfer_container_id> (712)
PTN000000073

>  <COMPOUND_NUMBER> (712)
WAY-305890

>  <BAR_CODE_NO> (712)
3909244

>  <LOCATION_CODE> (712)
PTNCS

>  <AMOUNT_CURRENT> (712)
33.4

$$$$
WAY-305911
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0655    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    1.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -1.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -0.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655    1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -0.1414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    1.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    1.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4103   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -0.5241    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
  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
 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
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
  7 10  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C15H14N4O2S2

>  <MolWeight> (713)
346.42726

>  <PCAT_CMPD_ID> (713)
WAY-305911

>  <CNC_ID> (713)
359408412

>  <transfer_container_id> (713)
PTN000000073

>  <COMPOUND_NUMBER> (713)
WAY-305911

>  <BAR_CODE_NO> (713)
3909269

>  <LOCATION_CODE> (713)
PTNCS

>  <AMOUNT_CURRENT> (713)
33.2

$$$$
WAY-305923
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.6449   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7789   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -1.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.6920    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4781    1.6865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933    2.8080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -0.6929    0.0000 O   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  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 11  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 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 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  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
M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C14H15N3O4S

>  <MolWeight> (714)
321.3516

>  <PCAT_CMPD_ID> (714)
WAY-305923

>  <CNC_ID> (714)
359408424

>  <transfer_container_id> (714)
PTN000000073

>  <COMPOUND_NUMBER> (714)
WAY-305923

>  <BAR_CODE_NO> (714)
3909283

>  <LOCATION_CODE> (714)
PTNCS

>  <AMOUNT_CURRENT> (714)
33.2

$$$$
WAY-305953
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.2552   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    0.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -0.0690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -1.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    1.2552    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  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
  9 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
 14 18  2  0  0  0  0
  8  9  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C12H12N2O3S

>  <MolWeight> (715)
264.30028

>  <PCAT_CMPD_ID> (715)
WAY-305953

>  <CNC_ID> (715)
359408454

>  <transfer_container_id> (715)
PTN000000073

>  <COMPOUND_NUMBER> (715)
WAY-305953

>  <BAR_CODE_NO> (715)
3909315

>  <LOCATION_CODE> (715)
PTNCS

>  <AMOUNT_CURRENT> (715)
33.2

$$$$
WAY-305985
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.6000   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586   -1.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724    0.7276    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
    2.9517    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    0.0759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621    0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724    2.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -0.2931    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  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
 11 14  2  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
 15 18  2  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  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
  8  9  1  0  0  0  0
 18 21  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C18H13NO5S

>  <MolWeight> (716)
355.36452

>  <PCAT_CMPD_ID> (716)
WAY-305985

>  <CNC_ID> (716)
359408486

>  <transfer_container_id> (716)
PTN000000073

>  <COMPOUND_NUMBER> (716)
WAY-305985

>  <BAR_CODE_NO> (716)
3909360

>  <LOCATION_CODE> (716)
PTNCS

>  <AMOUNT_CURRENT> (716)
33.4

$$$$
WAY-305990
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.2486   -0.3620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3831    0.2932    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2486   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8859    0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175    0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279    1.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0382   -0.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8859   -2.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204   -0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175    2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7831    0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    2.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -2.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7831    2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2894   -1.6723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -3.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9175    2.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4238   -0.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4894   -2.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9175    4.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7031   -0.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3583   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (717)
717

>  <Formula> (717)
C17H24N2O4S

>  <MolWeight> (717)
352.44846

>  <PCAT_CMPD_ID> (717)
WAY-305990

>  <CNC_ID> (717)
359408491

>  <transfer_container_id> (717)
PTN000000073

>  <COMPOUND_NUMBER> (717)
WAY-305990

>  <BAR_CODE_NO> (717)
3909365

>  <LOCATION_CODE> (717)
PTNCS

>  <AMOUNT_CURRENT> (717)
33.9

$$$$
WAY-306040
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.3241    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414   -0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.7379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -0.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931    0.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    1.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4828    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5034    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241   -0.9172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448    0.4138    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
    1.5069    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172   -0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1759   -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  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
 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  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
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (718)
718

>  <Formula> (718)
C19H19N3O3S2

>  <MolWeight> (718)
401.50246

>  <PCAT_CMPD_ID> (718)
WAY-306040

>  <CNC_ID> (718)
359408541

>  <transfer_container_id> (718)
PTN000000073

>  <COMPOUND_NUMBER> (718)
WAY-306040

>  <BAR_CODE_NO> (718)
3909428

>  <LOCATION_CODE> (718)
PTNCS

>  <AMOUNT_CURRENT> (718)
33

$$$$
WAY-306068
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.6897   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -0.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -0.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -2.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    0.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    2.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    2.1207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724    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  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
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (719)
719

>  <Formula> (719)
C14H15NO3S

>  <MolWeight> (719)
277.3388

>  <PCAT_CMPD_ID> (719)
WAY-306068

>  <CNC_ID> (719)
359408569

>  <transfer_container_id> (719)
PTN000000073

>  <COMPOUND_NUMBER> (719)
WAY-306068

>  <BAR_CODE_NO> (719)
3909465

>  <LOCATION_CODE> (719)
PTNCS

>  <AMOUNT_CURRENT> (719)
33.7

$$$$
WAY-306070
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4483   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690   -0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793   -1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586    0.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2828    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  7 12  2  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
 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
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (720)
720

>  <Formula> (720)
C19H19N3O3

>  <MolWeight> (720)
337.37246

>  <PCAT_CMPD_ID> (720)
WAY-306070

>  <CNC_ID> (720)
359408571

>  <transfer_container_id> (720)
PTN000000073

>  <COMPOUND_NUMBER> (720)
WAY-306070

>  <BAR_CODE_NO> (720)
3909469

>  <LOCATION_CODE> (720)
PTNCS

>  <AMOUNT_CURRENT> (720)
33.3

$$$$
WAY-306077
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.0417   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -3.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -4.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -5.1417    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  1  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  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  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  7  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 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  2  5  1  0  0  0  0
 19 15  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (721)
721

>  <Formula> (721)
C17H13NO3S

>  <MolWeight> (721)
311.35502

>  <PCAT_CMPD_ID> (721)
WAY-306077

>  <CNC_ID> (721)
359408578

>  <transfer_container_id> (721)
PTN000000073

>  <COMPOUND_NUMBER> (721)
WAY-306077

>  <BAR_CODE_NO> (721)
3909476

>  <LOCATION_CODE> (721)
PTNCS

>  <AMOUNT_CURRENT> (721)
33.5

$$$$
WAY-306082
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3680    0.5282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3680   -0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4921    1.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232    1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4921    2.0524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630    0.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232    2.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    0.5386    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630   -0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232   -1.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3680    2.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630    2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079   -0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -2.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3680    3.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1975   -1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837   -0.4890    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0527   -2.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    0.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9389   -0.9821    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0182   -3.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
  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
 10 14  1  0  0  0  0
 11 15  2  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
 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
  8 12  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (722)
722

>  <Formula> (722)
C13H12ClN3O5

>  <MolWeight> (722)
325.70448

>  <PCAT_CMPD_ID> (722)
WAY-306082

>  <CNC_ID> (722)
359408583

>  <transfer_container_id> (722)
PTN000000073

>  <COMPOUND_NUMBER> (722)
WAY-306082

>  <BAR_CODE_NO> (722)
3909482

>  <LOCATION_CODE> (722)
PTNCS

>  <AMOUNT_CURRENT> (722)
33.4

$$$$
WAY-306088-A
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.2033   -1.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449   -1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2033   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585   -1.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449   -0.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -1.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9378   -2.7484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449   -2.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4068   -2.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1413   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449    1.4861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449    2.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    2.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    2.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    3.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2829    3.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449    4.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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  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  9  1  0  0  0  0
  8 12  2  0  0  0  0
 15 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (723)
723

>  <Formula> (723)
C17H19N5S

>  <MolWeight> (723)
325.43126

>  <PCAT_CMPD_ID> (723)
WAY-306088-A

>  <CNC_ID> (723)
359408589

>  <transfer_container_id> (723)
PTN000000073

>  <COMPOUND_NUMBER> (723)
WAY-306088-A

>  <BAR_CODE_NO> (723)
3909490

>  <LOCATION_CODE> (723)
PTNCS

>  <AMOUNT_CURRENT> (723)
33.2

$$$$
WAY-306089
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.5310    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310    1.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793    0.3655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2793    2.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    3.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517   -2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621   -3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517   -3.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862    0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000    2.1483    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
 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  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
 19 23  1  0  0  0  0
 20 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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
  8 11  2  0  0  0  0
 10 14  1  0  0  0  0
 21 24  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C23H26N8O2

>  <MolWeight> (724)
446.50494

>  <PCAT_CMPD_ID> (724)
WAY-306089

>  <CNC_ID> (724)
359408590

>  <transfer_container_id> (724)
PTN000000073

>  <COMPOUND_NUMBER> (724)
WAY-306089

>  <BAR_CODE_NO> (724)
3909491

>  <LOCATION_CODE> (724)
PTNCS

>  <AMOUNT_CURRENT> (724)
33.5

$$$$
WAY-306093
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.9828    0.3414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5931    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034    1.4103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -1.0897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    0.6414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -1.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -2.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    1.6828    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  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
 32 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> (725)
725

>  <Formula> (725)
C26H27N3O2S2

>  <MolWeight> (725)
477.64148

>  <PCAT_CMPD_ID> (725)
WAY-306093

>  <CNC_ID> (725)
359408594

>  <transfer_container_id> (725)
PTN000000073

>  <COMPOUND_NUMBER> (725)
WAY-306093

>  <BAR_CODE_NO> (725)
3909497

>  <LOCATION_CODE> (725)
PTNCS

>  <AMOUNT_CURRENT> (725)
33.7

$$$$
WAY-306102
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.2655   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -1.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -1.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -2.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.0103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -2.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -2.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -2.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    3.3241    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3310   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    3.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    3.7448    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
  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
  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
 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
 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  8  2  0  0  0  0
 15 17  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C14H11ClN6O3

>  <MolWeight> (726)
346.72854

>  <PCAT_CMPD_ID> (726)
WAY-306102

>  <CNC_ID> (726)
359408603

>  <transfer_container_id> (726)
PTN000000073

>  <COMPOUND_NUMBER> (726)
WAY-306102

>  <BAR_CODE_NO> (726)
3909507

>  <LOCATION_CODE> (726)
PTNCS

>  <AMOUNT_CURRENT> (726)
33.3

$$$$
WAY-306108
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.8099   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315    0.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478    0.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591   -0.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1039    1.3395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4892   -0.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478   -1.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315   -1.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0901    1.5602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4892   -1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272    0.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487    0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272   -1.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1823   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1073    1.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9453   -0.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1823   -1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0935    1.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9177   -0.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    0.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 16 19  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C17H10N2O3

>  <MolWeight> (727)
290.2729

>  <PCAT_CMPD_ID> (727)
WAY-306108

>  <CNC_ID> (727)
359408609

>  <transfer_container_id> (727)
PTN000000073

>  <COMPOUND_NUMBER> (727)
WAY-306108

>  <BAR_CODE_NO> (727)
3909521

>  <LOCATION_CODE> (727)
PTNCS

>  <AMOUNT_CURRENT> (727)
33

$$$$
WAY-306112
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.2458    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6838    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6424   -0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886    0.7074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079    2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4872    1.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2252   -0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9955    0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9355    2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6217   -1.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886   -0.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7886    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596    2.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355   -1.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2252   -2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300   -0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2197    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0079    3.4523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8424   -2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6217   -2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231   -0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231    0.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8527   -3.4891    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
  7 12  1  0  0  0  0
  8 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
 14 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
 20 24  2  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C22H18N4

>  <MolWeight> (728)
338.40512

>  <PCAT_CMPD_ID> (728)
WAY-306112

>  <CNC_ID> (728)
359408613

>  <transfer_container_id> (728)
PTN000000073

>  <COMPOUND_NUMBER> (728)
WAY-306112

>  <BAR_CODE_NO> (728)
3909527

>  <LOCATION_CODE> (728)
PTNCS

>  <AMOUNT_CURRENT> (728)
33.3

$$$$
WAY-306131
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.2777   -0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0639   -0.6918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674   -0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -2.0711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4499   -1.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7467    1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2501   -0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4536   -2.6745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7843    0.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -2.0608    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1225    0.5220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016    1.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8019    1.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085   -0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706    1.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3257    0.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 10 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
  6  9  2  0  0  0  0
 13 16  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C14H12N4S

>  <MolWeight> (729)
268.33688

>  <PCAT_CMPD_ID> (729)
WAY-306131

>  <CNC_ID> (729)
359408632

>  <transfer_container_id> (729)
PTN000000073

>  <COMPOUND_NUMBER> (729)
WAY-306131

>  <BAR_CODE_NO> (729)
3909557

>  <LOCATION_CODE> (729)
PTNCS

>  <AMOUNT_CURRENT> (729)
33.1

$$$$
WAY-306132
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.1966    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    1.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    2.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    3.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138    3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -2.4448    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0138   -1.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -3.3690    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
  5 10  2  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
  7 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
 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
 10 11  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (730)
730

>  <Formula> (730)
C15H16N4O3

>  <MolWeight> (730)
300.31254

>  <PCAT_CMPD_ID> (730)
WAY-306132

>  <CNC_ID> (730)
359408633

>  <transfer_container_id> (730)
PTN000000073

>  <COMPOUND_NUMBER> (730)
WAY-306132

>  <BAR_CODE_NO> (730)
3909558

>  <LOCATION_CODE> (730)
PTNCS

>  <AMOUNT_CURRENT> (730)
33.8

$$$$
WAY-306135
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.3870   -0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420    0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160   -0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -0.8829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160   -0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640    0.6381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520    0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510    1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    0.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350   -1.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3450    1.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   -0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020   -0.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   -0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    0.1851    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -0.9219    0.0000 C   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  4  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  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
  9 13  2  0  0  0  0
 14 10  2  0  0  0  0
  8 15  2  0  0  0  0
 16  7  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
  5  3  2  0  0  0  0
 15 17  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (731)
731

>  <Formula> (731)
C14H10BrNO3

>  <MolWeight> (731)
320.1381

>  <PCAT_CMPD_ID> (731)
WAY-306135

>  <CNC_ID> (731)
359408636

>  <transfer_container_id> (731)
PTN000000073

>  <COMPOUND_NUMBER> (731)
WAY-306135

>  <BAR_CODE_NO> (731)
3909563

>  <LOCATION_CODE> (731)
PTNCS

>  <AMOUNT_CURRENT> (731)
33

$$$$
WAY-306136
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1414    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586    0.8345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    0.7862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -0.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -1.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    0.9379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621   -0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  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  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
  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (732)
732

>  <Formula> (732)
C14H14N2O2S3

>  <MolWeight> (732)
338.46816

>  <PCAT_CMPD_ID> (732)
WAY-306136

>  <CNC_ID> (732)
359408637

>  <transfer_container_id> (732)
PTN000000073

>  <COMPOUND_NUMBER> (732)
WAY-306136

>  <BAR_CODE_NO> (732)
3909564

>  <LOCATION_CODE> (732)
PTNCS

>  <AMOUNT_CURRENT> (732)
33.2

$$$$
WAY-306142
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.0828   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103   -1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759   -2.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -2.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -3.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034    1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    1.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -3.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    2.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    3.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    2.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345    3.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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  9  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (733)
733

>  <Formula> (733)
C20H16N2O3S

>  <MolWeight> (733)
364.41764

>  <PCAT_CMPD_ID> (733)
WAY-306142

>  <CNC_ID> (733)
359408643

>  <transfer_container_id> (733)
PTN000000073

>  <COMPOUND_NUMBER> (733)
WAY-306142

>  <BAR_CODE_NO> (733)
3909570

>  <LOCATION_CODE> (733)
PTNCS

>  <AMOUNT_CURRENT> (733)
33.5

$$$$
WAY-306153
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.7207    0.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    1.1379    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
    0.2379    1.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    1.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379    0.9966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -0.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.7586    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
   -1.8621    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414    0.5966    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
  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  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
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  2  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  1  0  0  0  0
M  END
>  <Mol_ID> (734)
734

>  <Formula> (734)
C21H17N3O3S

>  <MolWeight> (734)
391.44298

>  <PCAT_CMPD_ID> (734)
WAY-306153

>  <CNC_ID> (734)
359408654

>  <transfer_container_id> (734)
PTN000000073

>  <COMPOUND_NUMBER> (734)
WAY-306153

>  <BAR_CODE_NO> (734)
3909589

>  <LOCATION_CODE> (734)
PTNCS

>  <AMOUNT_CURRENT> (734)
33.8

$$$$
WAY-306168
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.2103    0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    0.3517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -0.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6759    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759   -0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517   -0.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2310   -1.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483   -1.6069    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
    4.4448    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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
 11 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
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  9 10  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C15H21NO4S

>  <MolWeight> (735)
311.39654

>  <PCAT_CMPD_ID> (735)
WAY-306168

>  <CNC_ID> (735)
359408669

>  <transfer_container_id> (735)
PTN000000073

>  <COMPOUND_NUMBER> (735)
WAY-306168

>  <BAR_CODE_NO> (735)
3909606

>  <LOCATION_CODE> (735)
PTNCS

>  <AMOUNT_CURRENT> (735)
33.7

$$$$
WAY-306193
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.1034   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -1.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655   -1.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -2.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172   -2.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -3.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3586    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8103   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862   -3.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966    1.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -0.4172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345    0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0828    2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0759    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586    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  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
 17 19  1  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  1  0  0  0  0
 22 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
  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C22H18N4O2S

>  <MolWeight> (736)
402.46892

>  <PCAT_CMPD_ID> (736)
WAY-306193

>  <CNC_ID> (736)
359408694

>  <transfer_container_id> (736)
PTN000000073

>  <COMPOUND_NUMBER> (736)
WAY-306193

>  <BAR_CODE_NO> (736)
3909641

>  <LOCATION_CODE> (736)
PTNCS

>  <AMOUNT_CURRENT> (736)
33.3

$$$$
WAY-306194
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4310    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    1.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    2.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8621   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    0.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7069   -2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  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  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
  7 10  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C20H15N3O2

>  <MolWeight> (737)
329.352

>  <PCAT_CMPD_ID> (737)
WAY-306194

>  <CNC_ID> (737)
359408695

>  <transfer_container_id> (737)
PTN000000073

>  <COMPOUND_NUMBER> (737)
WAY-306194

>  <BAR_CODE_NO> (737)
3909642

>  <LOCATION_CODE> (737)
PTNCS

>  <AMOUNT_CURRENT> (737)
33.8

$$$$
WAY-306224
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.5178    0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7178   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   -0.5100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0178    1.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6868    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9282   -1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799    0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7316   -1.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7385    1.3831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8592    0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1178   -1.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6408   -0.5100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0972   -0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442    0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -1.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684    1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0615   -0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0615    2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1718    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1718    1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
  7  9  2  0  0  0  0
 11 13  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C17H15N3OS

>  <MolWeight> (738)
309.3855

>  <PCAT_CMPD_ID> (738)
WAY-306224

>  <CNC_ID> (738)
359408724

>  <transfer_container_id> (738)
PTN000000073

>  <COMPOUND_NUMBER> (738)
WAY-306224

>  <BAR_CODE_NO> (738)
3909690

>  <LOCATION_CODE> (738)
PTNCS

>  <AMOUNT_CURRENT> (738)
33.8

$$$$
WAY-306232
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0379   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -0.9828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -1.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -2.0379    0.0000 O   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
   -1.4552    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    1.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  2  0  0  0  0
  5  9  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C12H9N3O2S

>  <MolWeight> (739)
259.28376

>  <PCAT_CMPD_ID> (739)
WAY-306232

>  <CNC_ID> (739)
359408732

>  <transfer_container_id> (739)
PTN000000073

>  <COMPOUND_NUMBER> (739)
WAY-306232

>  <BAR_CODE_NO> (739)
3909705

>  <LOCATION_CODE> (739)
PTNCS

>  <AMOUNT_CURRENT> (739)
33.2

$$$$
WAY-306310
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.3759   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    0.5621    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
   -0.3966   -1.7759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    0.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552   -0.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -0.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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
 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> (740)
740

>  <Formula> (740)
C13H13N3O2

>  <MolWeight> (740)
243.26122

>  <PCAT_CMPD_ID> (740)
WAY-306310

>  <CNC_ID> (740)
359408810

>  <transfer_container_id> (740)
PTN000000073

>  <COMPOUND_NUMBER> (740)
WAY-306310

>  <BAR_CODE_NO> (740)
3909807

>  <LOCATION_CODE> (740)
PTNCS

>  <AMOUNT_CURRENT> (740)
33.4

$$$$
WAY-306633
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.1345   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2690   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2690    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3586   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3586    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4931   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    1.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483    2.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    3.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207    2.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3793   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4138   -3.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7828   -3.2034    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  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
  8 12  1  0  0  0  0
  9 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
 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
 18 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
  8 10  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C20H20N2O3

>  <MolWeight> (741)
336.3844

>  <PCAT_CMPD_ID> (741)
WAY-306633

>  <CNC_ID> (741)
359409131

>  <transfer_container_id> (741)
PTN000000073

>  <COMPOUND_NUMBER> (741)
WAY-306633

>  <BAR_CODE_NO> (741)
3910208

>  <LOCATION_CODE> (741)
PTNCS

>  <AMOUNT_CURRENT> (741)
33.3

$$$$
WAY-306640
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.8586    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -0.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586   -0.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    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  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
 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
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C13H14N2O3

>  <MolWeight> (742)
246.26186

>  <PCAT_CMPD_ID> (742)
WAY-306640

>  <CNC_ID> (742)
359409138

>  <transfer_container_id> (742)
PTN000000073

>  <COMPOUND_NUMBER> (742)
WAY-306640

>  <BAR_CODE_NO> (742)
3910216

>  <LOCATION_CODE> (742)
PTNCS

>  <AMOUNT_CURRENT> (742)
33.7

$$$$
WAY-306641
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.1625   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9763   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -1.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582    0.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0487   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245   -0.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107   -1.6893    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755   -1.0720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755    0.3590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1763    1.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2763   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893   -0.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099    1.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893    1.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099    2.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720    1.8107    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
 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> (743)
743

>  <Formula> (743)
C11H10N2O3S

>  <MolWeight> (743)
250.2737

>  <PCAT_CMPD_ID> (743)
WAY-306641

>  <CNC_ID> (743)
359409139

>  <transfer_container_id> (743)
PTN000000073

>  <COMPOUND_NUMBER> (743)
WAY-306641

>  <BAR_CODE_NO> (743)
3910217

>  <LOCATION_CODE> (743)
PTNCS

>  <AMOUNT_CURRENT> (743)
33.9

$$$$
WAY-306646
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.3000   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138    1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759   -1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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> (744)
744

>  <Formula> (744)
C10H15N3O

>  <MolWeight> (744)
193.2456

>  <PCAT_CMPD_ID> (744)
WAY-306646

>  <CNC_ID> (744)
359409144

>  <transfer_container_id> (744)
PTN000000073

>  <COMPOUND_NUMBER> (744)
WAY-306646

>  <BAR_CODE_NO> (744)
3910224

>  <LOCATION_CODE> (744)
PTNCS

>  <AMOUNT_CURRENT> (744)
33.6

$$$$
WAY-306657
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.9483   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276   -1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724   -1.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3931   -2.8724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    1.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2069    3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    3.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069    3.1655    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
  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
 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  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
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C15H15ClN2O2

>  <MolWeight> (745)
290.7448

>  <PCAT_CMPD_ID> (745)
WAY-306657

>  <CNC_ID> (745)
359409155

>  <transfer_container_id> (745)
PTN000000073

>  <COMPOUND_NUMBER> (745)
WAY-306657

>  <BAR_CODE_NO> (745)
3910242

>  <LOCATION_CODE> (745)
PTNCS

>  <AMOUNT_CURRENT> (745)
33.2

$$$$
WAY-306658
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.9367    1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264    0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    1.8211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540    0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    1.1176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977    0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    1.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540    2.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7816    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    3.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7816    2.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -1.0582    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -1.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8253   -1.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2529   -1.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219   -2.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460   -2.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9219   -2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460   -2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -3.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5322   -3.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 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
  8 11  1  0  0  0  0
 10 13  2  0  0  0  0
 15 17  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (746)
746

>  <Formula> (746)
C21H16N2O3S

>  <MolWeight> (746)
376.42834

>  <PCAT_CMPD_ID> (746)
WAY-306658

>  <CNC_ID> (746)
359409156

>  <transfer_container_id> (746)
PTN000000073

>  <COMPOUND_NUMBER> (746)
WAY-306658

>  <BAR_CODE_NO> (746)
3910244

>  <LOCATION_CODE> (746)
PTNCS

>  <AMOUNT_CURRENT> (746)
33.5

$$$$
WAY-306697
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.8069   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    0.7069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0241   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -0.5414    0.0000 C   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
   -0.1931    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241   -2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931    1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5690    2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -0.0931    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  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  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
  7 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
 13 19  2  0  0  0  0
 15 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  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
  7 12  1  0  0  0  0
  9 12  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (747)
747

>  <Formula> (747)
C25H23NO2

>  <MolWeight> (747)
369.45562

>  <PCAT_CMPD_ID> (747)
WAY-306697

>  <CNC_ID> (747)
359409195

>  <transfer_container_id> (747)
PTN000000073

>  <COMPOUND_NUMBER> (747)
WAY-306697

>  <BAR_CODE_NO> (747)
3910293

>  <LOCATION_CODE> (747)
PTNCS

>  <AMOUNT_CURRENT> (747)
33.5

$$$$
WAY-306726
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.6458    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.2000    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  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  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  2  1  0  0  0  0
 13  2  1  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
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 10  8  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C13H19N3OS

>  <MolWeight> (748)
265.37446

>  <PCAT_CMPD_ID> (748)
WAY-306726

>  <CNC_ID> (748)
359409224

>  <transfer_container_id> (748)
PTN000000073

>  <COMPOUND_NUMBER> (748)
WAY-306726

>  <BAR_CODE_NO> (748)
3910329

>  <LOCATION_CODE> (748)
PTNCS

>  <AMOUNT_CURRENT> (748)
33.5

$$$$
WAY-306756
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.1345   -0.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345   -1.1897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -2.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -2.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -0.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862   -2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759    2.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    2.2690    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
  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
 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
 15 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
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6 10  1  0  0  0  0
 18 21  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C19H22N2O4S

>  <MolWeight> (749)
374.45398

>  <PCAT_CMPD_ID> (749)
WAY-306756

>  <CNC_ID> (749)
359409254

>  <transfer_container_id> (749)
PTN000000073

>  <COMPOUND_NUMBER> (749)
WAY-306756

>  <BAR_CODE_NO> (749)
3910367

>  <LOCATION_CODE> (749)
PTNCS

>  <AMOUNT_CURRENT> (749)
33.5

$$$$
WAY-306763
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.3664    1.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668    1.4253    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4357   -0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6689   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8621    0.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -1.9810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    0.4711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5329   -0.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661    0.8293    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9594   -0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636   -1.4954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640   -1.4614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843   -0.9247    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361    1.0255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    1.7451    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 14 17  1  0  0  0  0
  8  9  1  0  0  0  0
  5  1  2  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 13  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (750)
750

>  <Formula> (750)
C8H4F3N3OS2

>  <MolWeight> (750)
279.2620696

>  <PCAT_CMPD_ID> (750)
WAY-306763

>  <CNC_ID> (750)
359409261

>  <transfer_container_id> (750)
PTN000000073

>  <COMPOUND_NUMBER> (750)
WAY-306763

>  <BAR_CODE_NO> (750)
3910376

>  <LOCATION_CODE> (750)
PTNCS

>  <AMOUNT_CURRENT> (750)
33.1

$$$$
WAY-306764
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3621   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -0.9103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    0.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379    0.7103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.3379    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379    1.5172    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
  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  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
 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
  5  6  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C14H16N4O3S

>  <MolWeight> (751)
320.36684

>  <PCAT_CMPD_ID> (751)
WAY-306764

>  <CNC_ID> (751)
359409262

>  <transfer_container_id> (751)
PTN000000073

>  <COMPOUND_NUMBER> (751)
WAY-306764

>  <BAR_CODE_NO> (751)
3910377

>  <LOCATION_CODE> (751)
PTNCS

>  <AMOUNT_CURRENT> (751)
33.6

$$$$
WAY-306610
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3069   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -0.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862   -2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138   -2.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069   -3.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -3.8172    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
    0.7069    0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    2.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    1.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    1.8172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0517    0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655    2.4655    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  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
 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
 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
  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> (752)
752

>  <Formula> (752)
C16H17N3O5

>  <MolWeight> (752)
331.32328

>  <PCAT_CMPD_ID> (752)
WAY-306610

>  <CNC_ID> (752)
359409108

>  <transfer_container_id> (752)
PTN000000073

>  <COMPOUND_NUMBER> (752)
WAY-306610

>  <BAR_CODE_NO> (752)
3910185

>  <LOCATION_CODE> (752)
PTNCS

>  <AMOUNT_CURRENT> (752)
33.4

$$$$
WAY-306938
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.5379    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.0069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    0.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    0.2690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1069    0.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    0.0862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8897   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552   -0.0828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5103   -0.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.2759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3345    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -0.1552    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  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
 13 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
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C13H18N2O4S

>  <MolWeight> (753)
298.35802

>  <PCAT_CMPD_ID> (753)
WAY-306938

>  <CNC_ID> (753)
359409436

>  <transfer_container_id> (753)
PTN000000073

>  <COMPOUND_NUMBER> (753)
WAY-306938

>  <BAR_CODE_NO> (753)
3910580

>  <LOCATION_CODE> (753)
PTNCS

>  <AMOUNT_CURRENT> (753)
33.7

$$$$
WAY-307005
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2828   -0.3897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0138    0.0069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3172    0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    0.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586    1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -2.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -1.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517    2.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -2.3966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -2.4207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897   -1.9828    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  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
  8 13  2  0  0  0  0
  9 14  2  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
 11 18  1  0  0  0  0
 12 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
 18 24  1  0  0  0  0
 20 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
 19 23  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C19H17F3N2O3S

>  <MolWeight> (754)
410.4100896

>  <PCAT_CMPD_ID> (754)
WAY-307005

>  <CNC_ID> (754)
359409503

>  <transfer_container_id> (754)
PTN000000073

>  <COMPOUND_NUMBER> (754)
WAY-307005

>  <BAR_CODE_NO> (754)
3910672

>  <LOCATION_CODE> (754)
PTNCS

>  <AMOUNT_CURRENT> (754)
33.7

$$$$
WAY-307011
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.8241    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -1.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -1.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    1.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655    0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897    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  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
 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
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (755)
755

>  <Formula> (755)
C18H17N3O3

>  <MolWeight> (755)
323.34588

>  <PCAT_CMPD_ID> (755)
WAY-307011

>  <CNC_ID> (755)
359409509

>  <transfer_container_id> (755)
PTN000000073

>  <COMPOUND_NUMBER> (755)
WAY-307011

>  <BAR_CODE_NO> (755)
3910679

>  <LOCATION_CODE> (755)
PTNCS

>  <AMOUNT_CURRENT> (755)
33.8

$$$$
WAY-307030
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.7103   -0.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.4793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9793   -1.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -2.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3138   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -3.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -3.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    1.3828    0.0000 C   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
    3.1517    1.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0345    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    3.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655    2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345    3.0793    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  1  0  0  0  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
 12 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
 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
  7  9  1  0  0  0  0
 13 15  1  0  0  0  0
 22 23  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (756)
756

>  <Formula> (756)
C22H25N3O4

>  <MolWeight> (756)
395.4516

>  <PCAT_CMPD_ID> (756)
WAY-307030

>  <CNC_ID> (756)
359409528

>  <transfer_container_id> (756)
PTN000000073

>  <COMPOUND_NUMBER> (756)
WAY-307030

>  <BAR_CODE_NO> (756)
3910701

>  <LOCATION_CODE> (756)
PTNCS

>  <AMOUNT_CURRENT> (756)
33.6

$$$$
WAY-307073-A
csChFnd80/11182011152D

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.6945    0.9950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607    0.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5324   -0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5462    2.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607   -0.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8952    1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6945   -1.3223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945    0.2881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8945    1.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8952   -1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1496   -2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -0.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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> (757)
757

>  <Formula> (757)
C10H11N3

>  <MolWeight> (757)
173.21444

>  <PCAT_CMPD_ID> (757)
WAY-307073-A

>  <CNC_ID> (757)
359409572

>  <transfer_container_id> (757)
PTN000000073

>  <COMPOUND_NUMBER> (757)
WAY-307073-A

>  <BAR_CODE_NO> (757)
3910752

>  <LOCATION_CODE> (757)
PTNCS

>  <AMOUNT_CURRENT> (757)
33.9

$$$$
WAY-307106
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.9000   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -0.2552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -0.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -0.0414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    1.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    1.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -0.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -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
  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
 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
  7  8  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C9H9N3O2S2

>  <MolWeight> (758)
255.31666

>  <PCAT_CMPD_ID> (758)
WAY-307106

>  <CNC_ID> (758)
359409605

>  <transfer_container_id> (758)
PTN000000073

>  <COMPOUND_NUMBER> (758)
WAY-307106

>  <BAR_CODE_NO> (758)
3910790

>  <LOCATION_CODE> (758)
PTNCS

>  <AMOUNT_CURRENT> (758)
33.4

$$$$
WAY-307183
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.2793    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793    3.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    1.7103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -1.2000    0.0000 S   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
   -3.6931    2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966    3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2448    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    4.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621   -4.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3966   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -5.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5966   -4.1586    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
  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
 11 15  1  0  0  0  0
 12 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
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C13H10N2O3S

>  <MolWeight> (759)
274.2951

>  <PCAT_CMPD_ID> (759)
WAY-307183

>  <CNC_ID> (759)
359409682

>  <transfer_container_id> (759)
PTN000000073

>  <COMPOUND_NUMBER> (759)
WAY-307183

>  <BAR_CODE_NO> (759)
3910889

>  <LOCATION_CODE> (759)
PTNCS

>  <AMOUNT_CURRENT> (759)
33.3

$$$$
WAY-307191
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7554   -1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554   -0.0140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2067   -1.6450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243   -1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -2.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446   -1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830   -1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243   -3.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757   -1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830   -2.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    2.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0170    2.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9860    3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 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 12  1  0  0  0  0
 10 14  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C17H14N2O

>  <MolWeight> (760)
262.30586

>  <PCAT_CMPD_ID> (760)
WAY-307191

>  <CNC_ID> (760)
359409690

>  <transfer_container_id> (760)
PTN000000073

>  <COMPOUND_NUMBER> (760)
WAY-307191

>  <BAR_CODE_NO> (760)
3910898

>  <LOCATION_CODE> (760)
PTNCS

>  <AMOUNT_CURRENT> (760)
33.4

$$$$
WAY-307195
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0276    0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -0.4862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -0.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -1.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -0.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    1.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034    0.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -2.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    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  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  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
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 12 17  2  0  0  0  0
 20 23  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C20H24N2O4S

>  <MolWeight> (761)
388.48056

>  <PCAT_CMPD_ID> (761)
WAY-307195

>  <CNC_ID> (761)
359409694

>  <transfer_container_id> (761)
PTN000000073

>  <COMPOUND_NUMBER> (761)
WAY-307195

>  <BAR_CODE_NO> (761)
3910903

>  <LOCATION_CODE> (761)
PTNCS

>  <AMOUNT_CURRENT> (761)
33.6

$$$$
WAY-307199
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.4276    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    0.0241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    1.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    0.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483    1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.2483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8276    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8103    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310   -1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103   -2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7517   -1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  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
  5  6  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C14H17N3O2S

>  <MolWeight> (762)
291.36868

>  <PCAT_CMPD_ID> (762)
WAY-307199

>  <CNC_ID> (762)
359409698

>  <transfer_container_id> (762)
PTN000000073

>  <COMPOUND_NUMBER> (762)
WAY-307199

>  <BAR_CODE_NO> (762)
3910907

>  <LOCATION_CODE> (762)
PTNCS

>  <AMOUNT_CURRENT> (762)
33.7

$$$$
WAY-307235
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1552   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448    1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -1.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5828   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    1.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5828   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034    1.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172   -0.0517    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  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  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
  7 10  2  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C14H13NO2S

>  <MolWeight> (763)
259.32352

>  <PCAT_CMPD_ID> (763)
WAY-307235

>  <CNC_ID> (763)
359409734

>  <transfer_container_id> (763)
PTN000000073

>  <COMPOUND_NUMBER> (763)
WAY-307235

>  <BAR_CODE_NO> (763)
3910957

>  <LOCATION_CODE> (763)
PTNCS

>  <AMOUNT_CURRENT> (763)
33.5

$$$$
WAY-307237-A
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3543    0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3543   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4405    0.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2647   -1.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4405   -1.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888    0.3216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    2.2009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5267    0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5336   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905   -1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905    2.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905   -2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767    2.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767   -3.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0664   -1.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0664    2.2181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0664   -2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1560    2.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733    0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (764)
764

>  <Formula> (764)
C19H22N4

>  <MolWeight> (764)
306.40478

>  <PCAT_CMPD_ID> (764)
WAY-307237-A

>  <CNC_ID> (764)
359409736

>  <transfer_container_id> (764)
PTN000000073

>  <COMPOUND_NUMBER> (764)
WAY-307237-A

>  <BAR_CODE_NO> (764)
3910959

>  <LOCATION_CODE> (764)
PTNCS

>  <AMOUNT_CURRENT> (764)
33.2

$$$$
WAY-307241
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.8173   -1.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2967   -0.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173   -1.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380   -1.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587   -1.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967   -0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8173   -1.8609    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967   -2.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9380   -1.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -0.9402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967    0.5978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6242   -2.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173   -0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    0.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0413    0.7184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413    0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413    0.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    1.6391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240    0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413   -0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6827    1.6391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5827    0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1620    1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8240    0.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1413    1.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4240    1.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7413    2.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3620    1.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 17 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  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
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 20 22  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (765)
765

>  <Formula> (765)
C21H21N5OS2

>  <MolWeight> (765)
423.55434

>  <PCAT_CMPD_ID> (765)
WAY-307241

>  <CNC_ID> (765)
359409740

>  <transfer_container_id> (765)
PTN000000073

>  <COMPOUND_NUMBER> (765)
WAY-307241

>  <BAR_CODE_NO> (765)
3910965

>  <LOCATION_CODE> (765)
PTNCS

>  <AMOUNT_CURRENT> (765)
33.9

$$$$
WAY-307245-A
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.5065   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272   -2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5962    0.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5962   -2.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962   -2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6659    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0444   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3142    1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5659    1.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038    2.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4832    2.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4832    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1142    1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (766)
766

>  <Formula> (766)
C14H19NO2

>  <MolWeight> (766)
233.30616

>  <PCAT_CMPD_ID> (766)
WAY-307245-A

>  <CNC_ID> (766)
359409744

>  <transfer_container_id> (766)
PTN000000073

>  <COMPOUND_NUMBER> (766)
WAY-307245-A

>  <BAR_CODE_NO> (766)
3910972

>  <LOCATION_CODE> (766)
PTNCS

>  <AMOUNT_CURRENT> (766)
33.5

$$$$
WAY-307269
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.2655    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -0.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    1.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655    1.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0345    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0552   -2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8655   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1138   -1.5552    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
  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> (767)
767

>  <Formula> (767)
C14H11N3O

>  <MolWeight> (767)
237.25664

>  <PCAT_CMPD_ID> (767)
WAY-307269

>  <CNC_ID> (767)
359409768

>  <transfer_container_id> (767)
PTN000000073

>  <COMPOUND_NUMBER> (767)
WAY-307269

>  <BAR_CODE_NO> (767)
3911004

>  <LOCATION_CODE> (767)
PTNCS

>  <AMOUNT_CURRENT> (767)
33.8

$$$$
WAY-307276
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.1655    0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    1.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    1.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    0.9379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -1.4828    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
   -0.6759   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069    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  1  0  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
 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
 17 20  1  0  0  0  0
 18 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
  6  9  1  0  0  0  0
 13 15  2  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (768)
768

>  <Formula> (768)
C19H15N3OS

>  <MolWeight> (768)
333.4069

>  <PCAT_CMPD_ID> (768)
WAY-307276

>  <CNC_ID> (768)
359409775

>  <transfer_container_id> (768)
PTN000000073

>  <COMPOUND_NUMBER> (768)
WAY-307276

>  <BAR_CODE_NO> (768)
3911012

>  <LOCATION_CODE> (768)
PTNCS

>  <AMOUNT_CURRENT> (768)
33.5

$$$$
WAY-307362
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4379    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379   -1.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -1.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379    1.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517   -1.0724    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  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  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 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C17H17FN2O3

>  <MolWeight> (769)
316.3268832

>  <PCAT_CMPD_ID> (769)
WAY-307362

>  <CNC_ID> (769)
359409861

>  <transfer_container_id> (769)
PTN000000073

>  <COMPOUND_NUMBER> (769)
WAY-307362

>  <BAR_CODE_NO> (769)
3911127

>  <LOCATION_CODE> (769)
PTNCS

>  <AMOUNT_CURRENT> (769)
33.4

$$$$
WAY-307365
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.5042    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.5125    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  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  3  1  0  0  0  0
 13 16  1  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 13  1  0  0  0  0
 19 11  1  0  0  0  0
  2  4  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C15H17NO3

>  <MolWeight> (770)
259.30038

>  <PCAT_CMPD_ID> (770)
WAY-307365

>  <CNC_ID> (770)
359409864

>  <transfer_container_id> (770)
PTN000000073

>  <COMPOUND_NUMBER> (770)
WAY-307365

>  <BAR_CODE_NO> (770)
3911131

>  <LOCATION_CODE> (770)
PTNCS

>  <AMOUNT_CURRENT> (770)
33

$$$$
WAY-307392
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.2659   -0.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694   -0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2659   -1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935    0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9039    0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694   -1.8064    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1935   -2.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1177   -1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -0.9547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    1.1556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6142    1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -1.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306    2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9927   -1.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -2.7961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2763    2.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5617   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513   -2.7306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651    3.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0099    3.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858   -1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479   -2.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    4.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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
  8  9  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C19H16N2O2S2

>  <MolWeight> (771)
368.47254

>  <PCAT_CMPD_ID> (771)
WAY-307392

>  <CNC_ID> (771)
359409891

>  <transfer_container_id> (771)
PTN000000073

>  <COMPOUND_NUMBER> (771)
WAY-307392

>  <BAR_CODE_NO> (771)
3911162

>  <LOCATION_CODE> (771)
PTNCS

>  <AMOUNT_CURRENT> (771)
33.8

$$$$
WAY-307419
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.4345   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552   -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
   -3.8690   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    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
    2.5690   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -0.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    1.0000    0.0000 C   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
  1  2  2  0  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  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  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C16H19NO3

>  <MolWeight> (772)
273.32696

>  <PCAT_CMPD_ID> (772)
WAY-307419

>  <CNC_ID> (772)
359409918

>  <transfer_container_id> (772)
PTN000000073

>  <COMPOUND_NUMBER> (772)
WAY-307419

>  <BAR_CODE_NO> (772)
3911198

>  <LOCATION_CODE> (772)
PTNCS

>  <AMOUNT_CURRENT> (772)
33.5

$$$$
WAY-307423
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.2966    0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    1.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -0.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793    0.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345   -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  1  0  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
 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
  8 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C15H21NO3

>  <MolWeight> (773)
263.33214

>  <PCAT_CMPD_ID> (773)
WAY-307423

>  <CNC_ID> (773)
359409922

>  <transfer_container_id> (773)
PTN000000073

>  <COMPOUND_NUMBER> (773)
WAY-307423

>  <BAR_CODE_NO> (773)
3911204

>  <LOCATION_CODE> (773)
PTNCS

>  <AMOUNT_CURRENT> (773)
33.7

$$$$
WAY-307424
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.2998    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5791    0.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101    0.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5791   -0.8451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101   -0.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    0.3894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5791    1.6376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    2.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -0.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    2.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -1.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381    3.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -0.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657   -2.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -1.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002   -2.0969    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  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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C16H14ClN3O

>  <MolWeight> (774)
299.75486

>  <PCAT_CMPD_ID> (774)
WAY-307424

>  <CNC_ID> (774)
359409923

>  <transfer_container_id> (774)
PTN000000073

>  <COMPOUND_NUMBER> (774)
WAY-307424

>  <BAR_CODE_NO> (774)
3911205

>  <LOCATION_CODE> (774)
PTNCS

>  <AMOUNT_CURRENT> (774)
33.2

$$$$
WAY-307439
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5552    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517   -0.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    0.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8276   -0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    1.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -2.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -3.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    2.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    2.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -4.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    3.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931    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  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> (775)
775

>  <Formula> (775)
C16H18N2O5S

>  <MolWeight> (775)
350.38952

>  <PCAT_CMPD_ID> (775)
WAY-307439

>  <CNC_ID> (775)
359409938

>  <transfer_container_id> (775)
PTN000000073

>  <COMPOUND_NUMBER> (775)
WAY-307439

>  <BAR_CODE_NO> (775)
3911222

>  <LOCATION_CODE> (775)
PTNCS

>  <AMOUNT_CURRENT> (775)
33.2

$$$$
WAY-307450
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.8931   -0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.3517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3138    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690    0.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3138   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3483    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  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
 26 28  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  1  0  0  0  0
M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C23H24N2O3

>  <MolWeight> (776)
376.44826

>  <PCAT_CMPD_ID> (776)
WAY-307450

>  <CNC_ID> (776)
359409949

>  <transfer_container_id> (776)
PTN000000073

>  <COMPOUND_NUMBER> (776)
WAY-307450

>  <BAR_CODE_NO> (776)
3911233

>  <LOCATION_CODE> (776)
PTNCS

>  <AMOUNT_CURRENT> (776)
33.5

$$$$
WAY-323427
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.1721   -2.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5342   -2.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831   -3.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7831   -1.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2928   -1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9928   -3.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8652   -4.6796    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589   -4.1555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1072   -1.8072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3831   -0.1796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6963   -1.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928   -0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658   -3.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    0.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4549   -0.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445    1.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9727    2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8549    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9589    3.1687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5790    1.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2727    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796    4.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    3.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589    5.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8555    5.0894    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
  5 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
 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
 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 13  1  0  0  0  0
 16 18  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (777)
777

>  <Formula> (777)
C19H22N4OS

>  <MolWeight> (777)
354.46918

>  <PCAT_CMPD_ID> (777)
WAY-323427

>  <CNC_ID> (777)
359410175

>  <transfer_container_id> (777)
PTN000000076

>  <COMPOUND_NUMBER> (777)
WAY-323427

>  <BAR_CODE_NO> (777)
2570861

>  <LOCATION_CODE> (777)
PTNCS

>  <AMOUNT_CURRENT> (777)
32.7

$$$$
WAY-323504
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.9032    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4895   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7584    1.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9308   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6239   -0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2205   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7550    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0343   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653    0.7793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    1.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588   -1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2554   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0002   -0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5209   -1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
  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> (778)
778

>  <Formula> (778)
C17H17NO4

>  <MolWeight> (778)
299.32118

>  <PCAT_CMPD_ID> (778)
WAY-323504

>  <CNC_ID> (778)
359410252

>  <transfer_container_id> (778)
PTN000000075

>  <COMPOUND_NUMBER> (778)
WAY-323504

>  <BAR_CODE_NO> (778)
2558350

>  <LOCATION_CODE> (778)
PTNCS

>  <AMOUNT_CURRENT> (778)
32.2

$$$$
WAY-323608
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.6667   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -2.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -4.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -4.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -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  1  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  8  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  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 26  1  0  0  0  0
 14 11  3  0  0  0  0
 15  8  2  0  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  5  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 13  1  0  0  0  0
 22  4  1  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 25  1  0  0  0  0
 10  7  2  0  0  0  0
  5  6  1  0  0  0  0
 16 23  2  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (779)
779

>  <Formula> (779)
C18H15N7O

>  <MolWeight> (779)
345.358

>  <PCAT_CMPD_ID> (779)
WAY-323608

>  <CNC_ID> (779)
359410355

>  <transfer_container_id> (779)
PTN000000076

>  <COMPOUND_NUMBER> (779)
WAY-323608

>  <BAR_CODE_NO> (779)
2569948

>  <LOCATION_CODE> (779)
PTNCS

>  <AMOUNT_CURRENT> (779)
32.5

$$$$
WAY-323757
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.2333    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    3.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -2.3292    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  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  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14 19  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 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
 21  8  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  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
  4  8  2  0  0  0  0
  7  6  2  0  0  0  0
 26 24  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (780)
780

>  <Formula> (780)
C19H20N4O2S

>  <MolWeight> (780)
368.4527

>  <PCAT_CMPD_ID> (780)
WAY-323757

>  <CNC_ID> (780)
359410501

>  <transfer_container_id> (780)
PTN000000076

>  <COMPOUND_NUMBER> (780)
WAY-323757

>  <BAR_CODE_NO> (780)
2571754

>  <LOCATION_CODE> (780)
PTNCS

>  <AMOUNT_CURRENT> (780)
29.4

$$$$
WAY-325078
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5833    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.3000    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
    1.4542   -0.4000    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  2  2  0  0  0  0
  7 10  2  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  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  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 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 22  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
 11 12  2  0  0  0  0
  9  7  1  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C16H17N5O3

>  <MolWeight> (781)
327.33788

>  <PCAT_CMPD_ID> (781)
WAY-325078

>  <CNC_ID> (781)
359411803

>  <transfer_container_id> (781)
PTN000000075

>  <COMPOUND_NUMBER> (781)
WAY-325078

>  <BAR_CODE_NO> (781)
2563327

>  <LOCATION_CODE> (781)
PTNCS

>  <AMOUNT_CURRENT> (781)
29.8

$$$$
WAY-340160
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.6213    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2088   -0.5196    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2088    0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4662   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4662    0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7421    0.6304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    0.4054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7421   -0.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0787   -0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0787    0.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296    1.2971    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6912   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6912    0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162   -1.3696    0.0000 C   0  0  0  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
  5  6  1  0  0  0  0
 12  8  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (782)
782

>  <Formula> (782)
C11H7ClN2O2S

>  <MolWeight> (782)
266.70348

>  <PCAT_CMPD_ID> (782)
WAY-340160

>  <CNC_ID> (782)
359412248

>  <transfer_container_id> (782)
PTN000000073

>  <COMPOUND_NUMBER> (782)
WAY-340160

>  <BAR_CODE_NO> (782)
2550317

>  <LOCATION_CODE> (782)
PTNCS

>  <AMOUNT_CURRENT> (782)
32.3

$$$$
WAY-340170
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0281    1.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3711    0.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3711   -0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281   -0.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6851   -0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6851    0.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3211   -0.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9781   -0.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171    1.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -0.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0359   -0.3758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281    1.7242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109    0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609    0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5359   -0.3758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609   -1.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109   -1.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -0.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609    0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4109    0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859   -0.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4109   -1.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609   -1.0118    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
 19 20  1  0  0  0  0
 21 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (783)
783

>  <Formula> (783)
C17H20N2O4

>  <MolWeight> (783)
316.3517

>  <PCAT_CMPD_ID> (783)
WAY-340170

>  <CNC_ID> (783)
359412258

>  <transfer_container_id> (783)
PTN000000073

>  <COMPOUND_NUMBER> (783)
WAY-340170

>  <BAR_CODE_NO> (783)
2550328

>  <LOCATION_CODE> (783)
PTNCS

>  <AMOUNT_CURRENT> (783)
32

$$$$
WAY-340247
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    5.8542   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -1.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  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 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  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  9  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  3  1  0  0  0  0
 21 20  1  0  0  0  0
  7 10  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (784)
784

>  <Formula> (784)
C15H11N3O2S

>  <MolWeight> (784)
297.33174

>  <PCAT_CMPD_ID> (784)
WAY-340247

>  <CNC_ID> (784)
359412262

>  <transfer_container_id> (784)
PTN000000073

>  <COMPOUND_NUMBER> (784)
WAY-340247

>  <BAR_CODE_NO> (784)
2550208

>  <LOCATION_CODE> (784)
PTNCS

>  <AMOUNT_CURRENT> (784)
32.5

$$$$
WAY-340295
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.2875   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750  -13.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875  -13.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792  -15.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -6.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542  -15.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917  -10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -6.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542  -11.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -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  9  1  0  0  0  0
  5 10  1  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 17  2  0  0  0  0
 11 25  1  0  0  0  0
 12 22  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  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  4  2  0  0  0  0
 20 11  2  0  0  0  0
 21 29  1  0  0  0  0
 22 26  2  0  0  0  0
 23  2  1  0  0  0  0
 24  2  1  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27  3  1  0  0  0  0
 28 31  1  0  0  0  0
 29 24  1  0  0  0  0
 30 23  1  0  0  0  0
 31 27  2  0  0  0  0
 21 30  1  0  0  0  0
 28  9  2  0  0  0  0
 12  5  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (785)
785

>  <Formula> (785)
C20H20N2O8S

>  <MolWeight> (785)
448.4464

>  <PCAT_CMPD_ID> (785)
WAY-340295

>  <CNC_ID> (785)
359412303

>  <transfer_container_id> (785)
PTN000000073

>  <COMPOUND_NUMBER> (785)
WAY-340295

>  <BAR_CODE_NO> (785)
2550300

>  <LOCATION_CODE> (785)
PTNCS

>  <AMOUNT_CURRENT> (785)
32.9

$$$$
WAY-340339
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.8333   -0.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750  -13.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4458   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -9.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625  -15.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833  -14.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417  -10.4667    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
   -5.4083   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   -7.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -6.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2792   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3208    4.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375  -11.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250   -5.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1792    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    4.3167    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  4  2  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 18  2  0  0  0  0
 11 23  1  0  0  0  0
 12 28  1  0  0  0  0
 13 25  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  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  4  1  0  0  0  0
 21  6  2  0  0  0  0
 22 12  2  0  0  0  0
 23 20  2  0  0  0  0
 24 31  1  0  0  0  0
 25 29  2  0  0  0  0
 26  3  1  0  0  0  0
 27  3  1  0  0  0  0
 28 16  1  0  0  0  0
 29 18  1  0  0  0  0
 30 11  1  0  0  0  0
 31 27  1  0  0  0  0
 32 26  1  0  0  0  0
 24 32  1  0  0  0  0
  2 11  2  0  0  0  0
  7 13  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (786)
786

>  <Formula> (786)
C20H19ClN2O8S

>  <MolWeight> (786)
482.89146

>  <PCAT_CMPD_ID> (786)
WAY-340339

>  <CNC_ID> (786)
359412346

>  <transfer_container_id> (786)
PTN000000073

>  <COMPOUND_NUMBER> (786)
WAY-340339

>  <BAR_CODE_NO> (786)
2550247

>  <LOCATION_CODE> (786)
PTNCS

>  <AMOUNT_CURRENT> (786)
32.5

$$$$
WAY-340462
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.0792   -2.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -2.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9667   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -1.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2167   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.7792    0.0000 O   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
    9.4167   -3.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -3.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -3.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -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  2  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 11  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  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  1  0  0  0  0
 19  6  2  0  0  0  0
 20 23  2  0  0  0  0
 21 14  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 13  1  0  0  0  0
 26  8  1  0  0  0  0
 27 14  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 22 20  1  0  0  0  0
 13  7  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (787)
787

>  <Formula> (787)
C19H17Cl2NO6S

>  <MolWeight> (787)
458.31238

>  <PCAT_CMPD_ID> (787)
WAY-340462

>  <CNC_ID> (787)
359412367

>  <transfer_container_id> (787)
PTN000000073

>  <COMPOUND_NUMBER> (787)
WAY-340462

>  <BAR_CODE_NO> (787)
2550329

>  <LOCATION_CODE> (787)
PTNCS

>  <AMOUNT_CURRENT> (787)
33

$$$$
WAY-340473
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.8511    2.4739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2239    3.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2248    2.4457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8902    4.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0052    3.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1298    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9279    1.2153    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7539    7.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134    3.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573    6.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    8.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530   10.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.3524    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    9.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6944    8.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   10.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694    9.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    3.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2573    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3537    1.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3537    3.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0546    2.4262    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  2  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 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  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 15  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 19  1  0  0  0  0
 23 22  1  0  0  0  0
 21 23  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (788)
788

>  <Formula> (788)
C17H22ClNO4

>  <MolWeight> (788)
339.81388

>  <PCAT_CMPD_ID> (788)
WAY-340473

>  <CNC_ID> (788)
359412378

>  <transfer_container_id> (788)
PTN000000073

>  <COMPOUND_NUMBER> (788)
WAY-340473

>  <BAR_CODE_NO> (788)
2550340

>  <LOCATION_CODE> (788)
PTNCS

>  <AMOUNT_CURRENT> (788)
29.1

$$$$
WAY-385469
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.1968   -0.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2174    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554   -0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347   -2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446    1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    3.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554   -2.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554    1.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1174   -0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7239   -2.1098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554   -3.7892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239   -0.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0239    2.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6653    0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8239    2.0108    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  1  0  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
  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
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 10 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (789)
789

>  <Formula> (789)
C11H16N2O2

>  <MolWeight> (789)
208.25694

>  <PCAT_CMPD_ID> (789)
WAY-385469

>  <CNC_ID> (789)
359412461

>  <transfer_container_id> (789)
PTN000000073

>  <COMPOUND_NUMBER> (789)
WAY-385469

>  <BAR_CODE_NO> (789)
2548737

>  <LOCATION_CODE> (789)
PTNCS

>  <AMOUNT_CURRENT> (789)
19.5

$$$$
WAY-385659
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.0920    1.4161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1372   -0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3872   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420    0.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5080   -1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420    2.0536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0295    0.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4628    1.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7170    1.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0330    0.1536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080   -1.1547    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6795    0.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -1.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2705   -1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1045    0.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545   -0.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0670    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1420    2.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420   -0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6497   -0.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247   -1.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747   -1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7622   -1.1922    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  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  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  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14  5  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  1  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  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
 12 19  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (790)
790

>  <Formula> (790)
C16H23N3O3S2

>  <MolWeight> (790)
369.50212

>  <PCAT_CMPD_ID> (790)
WAY-385659

>  <CNC_ID> (790)
359412623

>  <transfer_container_id> (790)
PTN000000073

>  <COMPOUND_NUMBER> (790)
WAY-385659

>  <BAR_CODE_NO> (790)
2547770

>  <LOCATION_CODE> (790)
PTNCS

>  <AMOUNT_CURRENT> (790)
32.3

$$$$
WAY-385699
csChFnd80/11182011152D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -0.9333    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    3.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    5.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -3.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1792    9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1500    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4000    7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7250    9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -9.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4417   11.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2417   13.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250  -13.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4917   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  3  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  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 18  1  0  0  0  0
 12 20  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 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 13  2  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23  3  1  0  0  0  0
 24 21  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
 19 12  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (791)
791

>  <Formula> (791)
C19H24N4O2S2

>  <MolWeight> (791)
404.54946

>  <PCAT_CMPD_ID> (791)
WAY-385699

>  <CNC_ID> (791)
359412662

>  <transfer_container_id> (791)
PTN000000073

>  <COMPOUND_NUMBER> (791)
WAY-385699

>  <BAR_CODE_NO> (791)
2547914

>  <LOCATION_CODE> (791)
PTNCS

>  <AMOUNT_CURRENT> (791)
32.1

$$$$
WAY-385700
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.0319    7.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9743    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7779    6.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2261    6.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3884    7.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7187    8.7044    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6156    4.8558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854    3.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7499    8.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2519    3.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6101    1.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   11.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    8.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4543    9.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5432    2.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6540    3.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    1.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3145    2.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    9.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7763   10.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2530    0.0768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7466   12.1669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0802    4.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0040    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.2393    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  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 18  1  0  0  0  0
 12 20  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 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19 13  2  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23  3  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 19 12  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (792)
792

>  <Formula> (792)
C17H20N4O2S2

>  <MolWeight> (792)
376.4963

>  <PCAT_CMPD_ID> (792)
WAY-385700

>  <CNC_ID> (792)
359412663

>  <transfer_container_id> (792)
PTN000000073

>  <COMPOUND_NUMBER> (792)
WAY-385700

>  <BAR_CODE_NO> (792)
2547915

>  <LOCATION_CODE> (792)
PTNCS

>  <AMOUNT_CURRENT> (792)
32.7

$$$$
WAY-385707
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    5.6417   -5.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -5.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -5.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -3.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -3.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -8.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -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  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  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 18  1  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 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
 11 19  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (793)
793

>  <Formula> (793)
C14H8FN5S

>  <MolWeight> (793)
297.3102232

>  <PCAT_CMPD_ID> (793)
WAY-385707

>  <CNC_ID> (793)
359412670

>  <transfer_container_id> (793)
PTN000000073

>  <COMPOUND_NUMBER> (793)
WAY-385707

>  <BAR_CODE_NO> (793)
2547910

>  <LOCATION_CODE> (793)
PTNCS

>  <AMOUNT_CURRENT> (793)
33

$$$$
WAY-385746
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.4208    5.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0238    5.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1228    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492    6.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6426    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3582    2.2270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    8.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    7.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5300    4.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884    8.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2422    3.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4260    3.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3446    4.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090    4.6453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9560    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1894    9.6135    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7963    0.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0507    0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8569    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 11  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  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  9  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  2  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  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
  4  7  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C13H14Cl2N2O3

>  <MolWeight> (794)
317.16786

>  <PCAT_CMPD_ID> (794)
WAY-385746

>  <CNC_ID> (794)
359412709

>  <transfer_container_id> (794)
PTN000000073

>  <COMPOUND_NUMBER> (794)
WAY-385746

>  <BAR_CODE_NO> (794)
2547791

>  <LOCATION_CODE> (794)
PTNCS

>  <AMOUNT_CURRENT> (794)
32.5

$$$$
WAY-385757
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.9150    1.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5733    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8358    0.8646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3100    0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8983    0.2396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850   -0.4271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608    2.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767    0.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4608    0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358    2.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -0.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725   -2.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142   -1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600   -3.0146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392   -1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8267   -2.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600   -1.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -1.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6025    0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9733    0.8354    0.0000 C   0  0  0  0  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  2  0  0  0  0
  7  5  1  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  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13 18  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  1  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
  6 21  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C15H13FN2O3S

>  <MolWeight> (795)
320.3387232

>  <PCAT_CMPD_ID> (795)
WAY-385757

>  <CNC_ID> (795)
359412720

>  <transfer_container_id> (795)
PTN000000073

>  <COMPOUND_NUMBER> (795)
WAY-385757

>  <BAR_CODE_NO> (795)
2547944

>  <LOCATION_CODE> (795)
PTNCS

>  <AMOUNT_CURRENT> (795)
30.9

$$$$
WAY-385773
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.5792   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -4.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -7.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5750   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -9.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.2167    0.0000 C   0  0  0  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  3  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 11  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  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  2  0  0  0  0
 18 14  1  0  0  0  0
 19 14  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 22  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
  4 13  1  0  0  0  0
 17 23  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C22H29N3S

>  <MolWeight> (796)
367.55076

>  <PCAT_CMPD_ID> (796)
WAY-385773

>  <CNC_ID> (796)
359412736

>  <transfer_container_id> (796)
PTN000000073

>  <COMPOUND_NUMBER> (796)
WAY-385773

>  <BAR_CODE_NO> (796)
2547843

>  <LOCATION_CODE> (796)
PTNCS

>  <AMOUNT_CURRENT> (796)
32.7

$$$$
WAY-385780
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.8750  -10.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -8.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -6.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375  -11.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167  -10.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -12.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -12.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292  -13.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250  -14.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625  -14.5375    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  2  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  4  2  0  0  0  0
 12  4  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 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  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  9  1  0  0  0  0
 23 24  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C19H23N3OS

>  <MolWeight> (797)
341.47042

>  <PCAT_CMPD_ID> (797)
WAY-385780

>  <CNC_ID> (797)
359412742

>  <transfer_container_id> (797)
PTN000000073

>  <COMPOUND_NUMBER> (797)
WAY-385780

>  <BAR_CODE_NO> (797)
2547850

>  <LOCATION_CODE> (797)
PTNCS

>  <AMOUNT_CURRENT> (797)
32.7

$$$$
WAY-385806
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.0917   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -7.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -3.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250  -10.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -7.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -13.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.9000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250  -13.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -12.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.0542    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  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 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 22  2  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 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 13  2  0  0  0  0
 24 13  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
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 26 27  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (798)
798

>  <Formula> (798)
C19H14BrN5O2

>  <MolWeight> (798)
424.25076

>  <PCAT_CMPD_ID> (798)
WAY-385806

>  <CNC_ID> (798)
359412768

>  <transfer_container_id> (798)
PTN000000073

>  <COMPOUND_NUMBER> (798)
WAY-385806

>  <BAR_CODE_NO> (798)
2547873

>  <LOCATION_CODE> (798)
PTNCS

>  <AMOUNT_CURRENT> (798)
33

$$$$
WAY-385810
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.0667   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -9.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -7.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -7.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -9.2750    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
   12.5292   -9.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500  -11.8167    0.0000 C   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
    4.7667   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250  -13.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792  -14.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8542  -13.4500    0.0000 C   0  0  0  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 12  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 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
 10  9  1  0  0  0  0
  6  5  2  0  0  0  0
 19 15  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (799)
799

>  <Formula> (799)
C17H13N3OS

>  <MolWeight> (799)
307.36962

>  <PCAT_CMPD_ID> (799)
WAY-385810

>  <CNC_ID> (799)
359412772

>  <transfer_container_id> (799)
PTN000000073

>  <COMPOUND_NUMBER> (799)
WAY-385810

>  <BAR_CODE_NO> (799)
2547851

>  <LOCATION_CODE> (799)
PTNCS

>  <AMOUNT_CURRENT> (799)
33

$$$$
WAY-385813
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.0500   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -3.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -7.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -5.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -10.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750   -8.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0875   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9292   -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  3  2  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  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  5  2  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  2  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  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 21  1  0  0  0  0
  4 16  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (800)
800

>  <Formula> (800)
C16H22N2O4

>  <MolWeight> (800)
306.35688

>  <PCAT_CMPD_ID> (800)
WAY-385813

>  <CNC_ID> (800)
359412775

>  <transfer_container_id> (800)
PTN000000073

>  <COMPOUND_NUMBER> (800)
WAY-385813

>  <BAR_CODE_NO> (800)
2547854

>  <LOCATION_CODE> (800)
PTNCS

>  <AMOUNT_CURRENT> (800)
32.6

$$$$
WAY-385833
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0429    0.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571    0.8224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6741    0.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461   -0.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429    1.9504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829    0.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871   -0.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6929   -0.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0139   -0.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0829    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959   -0.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6349   -0.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139   -0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031    0.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871   -0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2161   -0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -0.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2161   -0.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7321   -0.9956    0.0000 Cl  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  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 15  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 19  1  0  0  0  0
 17 19  2  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
  5  4  1  0  0  0  0
 18 20  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (801)
801

>  <Formula> (801)
C15H10ClN3O2

>  <MolWeight> (801)
299.7118

>  <PCAT_CMPD_ID> (801)
WAY-385833

>  <CNC_ID> (801)
359412794

>  <transfer_container_id> (801)
PTN000000073

>  <COMPOUND_NUMBER> (801)
WAY-385833

>  <BAR_CODE_NO> (801)
2547949

>  <LOCATION_CODE> (801)
PTNCS

>  <AMOUNT_CURRENT> (801)
32.6

$$$$
WAY-385834
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.9417   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -8.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -8.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -6.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -5.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500  -11.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625  -11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667  -13.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542  -12.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625  -15.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.1417    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  3  2  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  3  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  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 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  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
  5  4  1  0  0  0  0
 15 12  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (802)
802

>  <Formula> (802)
C17H19N3O2

>  <MolWeight> (802)
297.35166

>  <PCAT_CMPD_ID> (802)
WAY-385834

>  <CNC_ID> (802)
359412795

>  <transfer_container_id> (802)
PTN000000073

>  <COMPOUND_NUMBER> (802)
WAY-385834

>  <BAR_CODE_NO> (802)
2547950

>  <LOCATION_CODE> (802)
PTNCS

>  <AMOUNT_CURRENT> (802)
32.8

$$$$
WAY-385906
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.9453    3.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3776    4.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7776    4.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    3.7505    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6732    6.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6701    5.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218    7.4310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0384    5.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6633    2.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732    3.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184    6.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    8.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0909    3.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0977    6.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7068    6.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6955    3.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7660    4.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235    2.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4731    1.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7751    7.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7660    2.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7438    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964    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  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  6  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  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  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 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 16  1  0  0  0  0
 23 15  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
 19 16  2  0  0  0  0
 26 24  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (803)
803

>  <Formula> (803)
C21H19NO3S

>  <MolWeight> (803)
365.44546

>  <PCAT_CMPD_ID> (803)
WAY-385906

>  <CNC_ID> (803)
359412867

>  <transfer_container_id> (803)
PTN000000073

>  <COMPOUND_NUMBER> (803)
WAY-385906

>  <BAR_CODE_NO> (803)
2548009

>  <LOCATION_CODE> (803)
PTNCS

>  <AMOUNT_CURRENT> (803)
32.4

$$$$
WAY-385934
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.4667   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542    1.1875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -4.4625    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 10  2  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  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  2  0  0  0  0
 13  2  1  0  0  0  0
 14 13  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  7  2  0  0  0  0
 19 17  2  0  0  0  0
 20  7  1  0  0  0  0
 21 19  1  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
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 16 12  1  0  0  0  0
  6 14  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (804)
804

>  <Formula> (804)
C19H16BrN3O3

>  <MolWeight> (804)
414.25264

>  <PCAT_CMPD_ID> (804)
WAY-385934

>  <CNC_ID> (804)
359412894

>  <transfer_container_id> (804)
PTN000000073

>  <COMPOUND_NUMBER> (804)
WAY-385934

>  <BAR_CODE_NO> (804)
2548075

>  <LOCATION_CODE> (804)
PTNCS

>  <AMOUNT_CURRENT> (804)
32.4

$$$$
WAY-385937
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.9917    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    3.5875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    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  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  1  0  0  0  0
  9  7  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 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  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 14  1  0  0  0  0
  9  8  1  0  0  0  0
  4  6  2  0  0  0  0
 18 16  2  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (805)
805

>  <Formula> (805)
C15H11ClN2OS

>  <MolWeight> (805)
302.77864

>  <PCAT_CMPD_ID> (805)
WAY-385937

>  <CNC_ID> (805)
359412897

>  <transfer_container_id> (805)
PTN000000073

>  <COMPOUND_NUMBER> (805)
WAY-385937

>  <BAR_CODE_NO> (805)
2548078

>  <LOCATION_CODE> (805)
PTNCS

>  <AMOUNT_CURRENT> (805)
32.5

$$$$
WAY-385948
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   11.3167   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -3.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4250   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -6.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.2917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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 10  1  0  0  0  0
  8  5  2  0  0  0  0
  9  7  2  0  0  0  0
 10 14  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  1  0  0  0  0
 16 13  1  0  0  0  0
 17 22  1  0  0  0  0
 18 11  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 17  1  0  0  0  0
 24 23  1  0  0  0  0
 12 11  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (806)
806

>  <Formula> (806)
C16H14Cl2N2O4

>  <MolWeight> (806)
369.19936

>  <PCAT_CMPD_ID> (806)
WAY-385948

>  <CNC_ID> (806)
359412908

>  <transfer_container_id> (806)
PTN000000073

>  <COMPOUND_NUMBER> (806)
WAY-385948

>  <BAR_CODE_NO> (806)
2548059

>  <LOCATION_CODE> (806)
PTNCS

>  <AMOUNT_CURRENT> (806)
33

$$$$
WAY-385964
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.7167   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.5625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2167   -4.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.9500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8500   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -2.9417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4792   -3.5750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  3  2  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  8  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 14  1  0  0  0  0
 16  8  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 13  2  0  0  0  0
 21 20  1  0  0  0  0
 21 18  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (807)
807

>  <Formula> (807)
C16H21BrN2OS

>  <MolWeight> (807)
369.31974

>  <PCAT_CMPD_ID> (807)
WAY-385964

>  <CNC_ID> (807)
359412924

>  <transfer_container_id> (807)
PTN000000073

>  <COMPOUND_NUMBER> (807)
WAY-385964

>  <BAR_CODE_NO> (807)
2548043

>  <LOCATION_CODE> (807)
PTNCS

>  <AMOUNT_CURRENT> (807)
32.2

$$$$
WAY-385980
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.4167   -0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -4.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917   -2.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.3625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5792    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    3.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375  -10.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500  -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  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  5  1  0  0  0  0
  9 14  1  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  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  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
 13  6  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (808)
808

>  <Formula> (808)
C15H22N2OS

>  <MolWeight> (808)
278.41298

>  <PCAT_CMPD_ID> (808)
WAY-385980

>  <CNC_ID> (808)
359412940

>  <transfer_container_id> (808)
PTN000000073

>  <COMPOUND_NUMBER> (808)
WAY-385980

>  <BAR_CODE_NO> (808)
2548017

>  <LOCATION_CODE> (808)
PTNCS

>  <AMOUNT_CURRENT> (808)
32.5

$$$$
WAY-386020
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.9500   -2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -5.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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  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  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 19  2  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  7  2  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
  7  4  1  0  0  0  0
 21 24  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (809)
809

>  <Formula> (809)
C17H15N3O4

>  <MolWeight> (809)
325.3187

>  <PCAT_CMPD_ID> (809)
WAY-386020

>  <CNC_ID> (809)
359412972

>  <transfer_container_id> (809)
PTN000000073

>  <COMPOUND_NUMBER> (809)
WAY-386020

>  <BAR_CODE_NO> (809)
2548085

>  <LOCATION_CODE> (809)
PTNCS

>  <AMOUNT_CURRENT> (809)
32.2

$$$$
WAY-386026
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.9657    3.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827    4.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896    4.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    3.7782    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6815    6.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6828    5.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2261    7.4725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1275    3.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8218    2.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942    2.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0557    5.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815    3.7691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200    6.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7455    3.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505    8.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760    2.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1388    1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8082    5.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1252    6.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7432    6.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1947    2.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373    2.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    1.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6066    1.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7737    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3214    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  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 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  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 11  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  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
 22  9  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
  8 19  2  0  0  0  0
 25 27  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (810)
810

>  <Formula> (810)
C21H17NO4S

>  <MolWeight> (810)
379.42898

>  <PCAT_CMPD_ID> (810)
WAY-386026

>  <CNC_ID> (810)
359412978

>  <transfer_container_id> (810)
PTN000000073

>  <COMPOUND_NUMBER> (810)
WAY-386026

>  <BAR_CODE_NO> (810)
2548092

>  <LOCATION_CODE> (810)
PTNCS

>  <AMOUNT_CURRENT> (810)
32.4

$$$$
WAY-386031
csChFnd80/11182011152D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.9417   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -5.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -3.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -4.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -5.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -4.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -7.8667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -3.6292    0.0000 C   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
    2.7000   -2.7417    0.0000 Cl  0  0  0  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  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7 15  1  0  0  0  0
  8  5  2  0  0  0  0
  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14 20  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  8  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 23  2  0  0  0  0
 23 17  1  0  0  0  0
 24 16  2  0  0  0  0
 25 18  1  0  0  0  0
 26 22  1  0  0  0  0
 18 19  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (811)
811

>  <Formula> (811)
C16H12Cl3N3O4

>  <MolWeight> (811)
416.64318

>  <PCAT_CMPD_ID> (811)
WAY-386031

>  <CNC_ID> (811)
359412983

>  <transfer_container_id> (811)
PTN000000073

>  <COMPOUND_NUMBER> (811)
WAY-386031

>  <BAR_CODE_NO> (811)
2548138

>  <LOCATION_CODE> (811)
PTNCS

>  <AMOUNT_CURRENT> (811)
32.7

$$$$
WAY-386065
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4790    0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411    0.1382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790    0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307    0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411   -0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106    0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106   -0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589    0.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589   -0.1514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411    0.9900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100    0.9900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307    1.2693    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003   -0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003   -0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486   -0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589   -0.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486   -0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003   -0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003   -1.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382   -0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382   -0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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  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 11  1  0  0  0  0
 10 13  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (812)
812

>  <Formula> (812)
C19H19F3N2O

>  <MolWeight> (812)
348.3621696

>  <PCAT_CMPD_ID> (812)
WAY-386065

>  <CNC_ID> (812)
359413013

>  <transfer_container_id> (812)
PTN000000073

>  <COMPOUND_NUMBER> (812)
WAY-386065

>  <BAR_CODE_NO> (812)
2548143

>  <LOCATION_CODE> (812)
PTNCS

>  <AMOUNT_CURRENT> (812)
32.4

$$$$
WAY-386120
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.8250   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125  -10.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -8.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -9.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667  -10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417  -10.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542  -11.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792  -11.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0750  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750  -10.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -8.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -8.2625    0.0000 C   0  0  0  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  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 19  1  0  0  0  0
 21 20  1  0  0  0  0
  7  5  1  0  0  0  0
 18 17  2  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C15H14N2O2S2

>  <MolWeight> (813)
318.41386

>  <PCAT_CMPD_ID> (813)
WAY-386120

>  <CNC_ID> (813)
359413068

>  <transfer_container_id> (813)
PTN000000073

>  <COMPOUND_NUMBER> (813)
WAY-386120

>  <BAR_CODE_NO> (813)
2548212

>  <LOCATION_CODE> (813)
PTNCS

>  <AMOUNT_CURRENT> (813)
29.6

$$$$
WAY-386127-A
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2667    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    1.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -3.6042    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
   10.6375   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    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  5  3  0  0  0  0
  5 10  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  3  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  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 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 20  2  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 18  6  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (814)
814

>  <Formula> (814)
C15H12N2O2S

>  <MolWeight> (814)
284.33298

>  <PCAT_CMPD_ID> (814)
WAY-386127-A

>  <CNC_ID> (814)
359413075

>  <transfer_container_id> (814)
PTN000000073

>  <COMPOUND_NUMBER> (814)
WAY-386127-A

>  <BAR_CODE_NO> (814)
2548219

>  <LOCATION_CODE> (814)
PTNCS

>  <AMOUNT_CURRENT> (814)
32.7

$$$$
WAY-386159
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   11.2282    9.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867    8.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    5.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9744    9.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0144    7.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926    5.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9646   10.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7055    9.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7387    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0144    5.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7387    5.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6111    7.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695    8.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6111    7.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0144    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1745    5.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  1  2  0  0  0  0
  5  6  2  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  8  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13 15  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  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (815)
815

>  <Formula> (815)
C16H22N2O

>  <MolWeight> (815)
258.35868

>  <PCAT_CMPD_ID> (815)
WAY-386159

>  <CNC_ID> (815)
359413104

>  <transfer_container_id> (815)
PTN000000073

>  <COMPOUND_NUMBER> (815)
WAY-386159

>  <BAR_CODE_NO> (815)
2548268

>  <LOCATION_CODE> (815)
PTNCS

>  <AMOUNT_CURRENT> (815)
32.8

$$$$
WAY-386231
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8417   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -3.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -4.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -2.7042    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  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  3  1  0  0  0  0
 10  9  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 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16  5  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
  2  4  2  0  0  0  0
  8 10  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (816)
816

>  <Formula> (816)
C15H14N2OS

>  <MolWeight> (816)
270.34946

>  <PCAT_CMPD_ID> (816)
WAY-386231

>  <CNC_ID> (816)
359413174

>  <transfer_container_id> (816)
PTN000000073

>  <COMPOUND_NUMBER> (816)
WAY-386231

>  <BAR_CODE_NO> (816)
2548499

>  <LOCATION_CODE> (816)
PTNCS

>  <AMOUNT_CURRENT> (816)
29

$$$$
WAY-386264-A
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   14.7542  -11.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -5.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917  -10.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250  -12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9167  -12.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917  -13.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792  -10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167  -12.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -9.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -8.6875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9167   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -7.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3 16  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  6  1  0  0  0  0
  9 15  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  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 12  1  0  0  0  0
 19 11  2  0  0  0  0
 20 15  1  0  0  0  0
 21  3  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
  8  7  1  0  0  0  0
 19 10  1  0  0  0  0
 17  3  1  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C16H24N2O5

>  <MolWeight> (817)
324.37216

>  <PCAT_CMPD_ID> (817)
WAY-386264-A

>  <CNC_ID> (817)
359413204

>  <transfer_container_id> (817)
PTN000000073

>  <COMPOUND_NUMBER> (817)
WAY-386264-A

>  <BAR_CODE_NO> (817)
2548948

>  <LOCATION_CODE> (817)
PTNCS

>  <AMOUNT_CURRENT> (817)
32.7

$$$$
WAY-386280
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.9417   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -5.9125    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
    9.9292   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292  -11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  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  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 14  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 11  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19  4  1  0  0  0  0
 20 18  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  7 20  1  0  0  0  0
 21 24  2  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (818)
818

>  <Formula> (818)
C19H20N2O3

>  <MolWeight> (818)
324.3737

>  <PCAT_CMPD_ID> (818)
WAY-386280

>  <CNC_ID> (818)
359413211

>  <transfer_container_id> (818)
PTN000000073

>  <COMPOUND_NUMBER> (818)
WAY-386280

>  <BAR_CODE_NO> (818)
2548351

>  <LOCATION_CODE> (818)
PTNCS

>  <AMOUNT_CURRENT> (818)
32.6

$$$$
WAY-386292
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.1500   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -8.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -7.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -6.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042  -10.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.0917    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
    5.1167   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -3.1292    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 12  1  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  2  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  2  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17  7  2  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  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
 24 23  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C18H24N2O4

>  <MolWeight> (819)
332.39416

>  <PCAT_CMPD_ID> (819)
WAY-386292

>  <CNC_ID> (819)
359413223

>  <transfer_container_id> (819)
PTN000000073

>  <COMPOUND_NUMBER> (819)
WAY-386292

>  <BAR_CODE_NO> (819)
2548326

>  <LOCATION_CODE> (819)
PTNCS

>  <AMOUNT_CURRENT> (819)
32.5

$$$$
WAY-386309
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   15.6167   -8.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -6.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -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  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 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  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C13H13NO2S

>  <MolWeight> (820)
247.31282

>  <PCAT_CMPD_ID> (820)
WAY-386309

>  <CNC_ID> (820)
359413240

>  <transfer_container_id> (820)
PTN000000073

>  <COMPOUND_NUMBER> (820)
WAY-386309

>  <BAR_CODE_NO> (820)
2548381

>  <LOCATION_CODE> (820)
PTNCS

>  <AMOUNT_CURRENT> (820)
32.5

$$$$
WAY-386549
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.9333    1.0833    0.0000 C   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
   -2.4125    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    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  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  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  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 14  1  0  0  0  0
 17 15  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> (821)
821

>  <Formula> (821)
C12H10N4O

>  <MolWeight> (821)
226.234

>  <PCAT_CMPD_ID> (821)
WAY-386549

>  <CNC_ID> (821)
359413293

>  <transfer_container_id> (821)
PTN000000073

>  <COMPOUND_NUMBER> (821)
WAY-386549

>  <BAR_CODE_NO> (821)
2548490

>  <LOCATION_CODE> (821)
PTNCS

>  <AMOUNT_CURRENT> (821)
32.6

$$$$
WAY-386557
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.1458   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -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  2  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  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  4  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (822)
822

>  <Formula> (822)
C12H19N

>  <MolWeight> (822)
177.28596

>  <PCAT_CMPD_ID> (822)
WAY-386557

>  <CNC_ID> (822)
359413300

>  <transfer_container_id> (822)
PTN000000073

>  <COMPOUND_NUMBER> (822)
WAY-386557

>  <BAR_CODE_NO> (822)
2548480

>  <LOCATION_CODE> (822)
PTNCS

>  <AMOUNT_CURRENT> (822)
32.1

$$$$
WAY-386642
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.6116    0.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116    1.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6116   -0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8530    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4151    2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220   -1.5779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8496   -1.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0979    0.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7884   -0.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263    3.4497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6634    3.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0979   -0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401   -1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    2.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401   -0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -2.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228   -2.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401   -3.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (823)
823

>  <Formula> (823)
C14H11N3O2

>  <MolWeight> (823)
253.25604

>  <PCAT_CMPD_ID> (823)
WAY-386642

>  <CNC_ID> (823)
359413383

>  <transfer_container_id> (823)
PTN000000073

>  <COMPOUND_NUMBER> (823)
WAY-386642

>  <BAR_CODE_NO> (823)
2548668

>  <LOCATION_CODE> (823)
PTNCS

>  <AMOUNT_CURRENT> (823)
32.3

$$$$
WAY-386645
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0167   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -3.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -4.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -3.8625    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  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  5  2  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 12  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  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
  6  7  1  0  0  0  0
 18 19  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (824)
824

>  <Formula> (824)
C16H14N2O

>  <MolWeight> (824)
250.29516

>  <PCAT_CMPD_ID> (824)
WAY-386645

>  <CNC_ID> (824)
359413386

>  <transfer_container_id> (824)
PTN000000073

>  <COMPOUND_NUMBER> (824)
WAY-386645

>  <BAR_CODE_NO> (824)
2548665

>  <LOCATION_CODE> (824)
PTNCS

>  <AMOUNT_CURRENT> (824)
32.3

$$$$
WAY-386646
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0625    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    2.2458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.9375    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  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  8  1  0  0  0  0
 10  5  2  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 13  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  2  0  0  0  0
 17 14  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
  6  7  1  0  0  0  0
 19 18  2  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (825)
825

>  <Formula> (825)
C15H11ClN2O

>  <MolWeight> (825)
270.71364

>  <PCAT_CMPD_ID> (825)
WAY-386646

>  <CNC_ID> (825)
359413387

>  <transfer_container_id> (825)
PTN000000073

>  <COMPOUND_NUMBER> (825)
WAY-386646

>  <BAR_CODE_NO> (825)
2548666

>  <LOCATION_CODE> (825)
PTNCS

>  <AMOUNT_CURRENT> (825)
32.4

$$$$
WAY-386656
csChFnd80/11182011152D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.1958  -14.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208  -12.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -7.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -9.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1167   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167  -10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417  -12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083  -10.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0917   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750  -15.2542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958  -13.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917  -10.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.0792   -4.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1292    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0667   -7.4542    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  3  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8  4  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  2  2  0  0  0  0
 13  8  2  0  0  0  0
 14 20  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  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 11  1  0  0  0  0
 21  9  1  0  0  0  0
 22  8  1  0  0  0  0
 23  4  2  0  0  0  0
 24 26  2  0  0  0  0
 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
  9  3  1  0  0  0  0
 24 13  1  0  0  0  0
M  END
>  <Mol_ID> (826)
826

>  <Formula> (826)
C16H13ClF3N3O4

>  <MolWeight> (826)
403.7403296

>  <PCAT_CMPD_ID> (826)
WAY-386656

>  <CNC_ID> (826)
359413397

>  <transfer_container_id> (826)
PTN000000073

>  <COMPOUND_NUMBER> (826)
WAY-386656

>  <BAR_CODE_NO> (826)
2548504

>  <LOCATION_CODE> (826)
PTNCS

>  <AMOUNT_CURRENT> (826)
32.5

$$$$
WAY-386683
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.6042   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2125   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -5.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -5.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -7.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -3.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4250   -9.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -7.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -5.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -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  1  1  0  0  0  0
  4  2  2  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  2  1  0  0  0  0
  9 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 21  1  0  0  0  0
 12 10  1  0  0  0  0
 13  1  1  0  0  0  0
 14 12  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  6  1  0  0  0  0
 19  8  2  0  0  0  0
 20  8  1  0  0  0  0
 21 22  2  0  0  0  0
 22 14  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
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 25  1  0  0  0  0
  5  4  1  0  0  0  0
 24 25  2  0  0  0  0
 11  7  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (827)
827

>  <Formula> (827)
C19H19N5O3S

>  <MolWeight> (827)
397.45086

>  <PCAT_CMPD_ID> (827)
WAY-386683

>  <CNC_ID> (827)
359413424

>  <transfer_container_id> (827)
PTN000000073

>  <COMPOUND_NUMBER> (827)
WAY-386683

>  <BAR_CODE_NO> (827)
2548567

>  <LOCATION_CODE> (827)
PTNCS

>  <AMOUNT_CURRENT> (827)
32.2

$$$$
WAY-386709
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1750    0.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.5649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.6726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    1.2941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -2.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -1.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -2.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.2941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    1.9066    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  7  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  3  2  0  0  0  0
 11  3  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15  3  1  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
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
  8  4  1  0  0  0  0
 19 16  1  0  0  0  0
 12  6  2  0  0  0  0
M  END
>  <Mol_ID> (828)
828

>  <Formula> (828)
C17H18N2O4S

>  <MolWeight> (828)
346.40082

>  <PCAT_CMPD_ID> (828)
WAY-386709

>  <CNC_ID> (828)
359413449

>  <transfer_container_id> (828)
PTN000000073

>  <COMPOUND_NUMBER> (828)
WAY-386709

>  <BAR_CODE_NO> (828)
2548575

>  <LOCATION_CODE> (828)
PTNCS

>  <AMOUNT_CURRENT> (828)
32.1

$$$$
WAY-386774
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.0708   -4.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -4.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -2.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -2.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -5.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -5.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -4.9292    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
    0.3417   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    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  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  4  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  1  1  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  1  2  0  0  0  0
 14  1  2  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  6  2  0  0  0  0
 19  9  2  0  0  0  0
 20 15  2  0  0  0  0
 21 15  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 21  2  0  0  0  0
 26 20  1  0  0  0  0
 27 25  1  0  0  0  0
  3  6  1  0  0  0  0
 18 23  1  0  0  0  0
 11  8  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (829)
829

>  <Formula> (829)
C19H14N2O4S2

>  <MolWeight> (829)
398.45546

>  <PCAT_CMPD_ID> (829)
WAY-386774

>  <CNC_ID> (829)
359413502

>  <transfer_container_id> (829)
PTN000000073

>  <COMPOUND_NUMBER> (829)
WAY-386774

>  <BAR_CODE_NO> (829)
2548710

>  <LOCATION_CODE> (829)
PTNCS

>  <AMOUNT_CURRENT> (829)
32.6

$$$$
WAY-386778
csChFnd80/11182011152D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.4292   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -5.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -3.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -4.3417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8500   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -5.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -5.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -4.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -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  2  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  3  2  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
>  <Mol_ID> (830)
830

>  <Formula> (830)
C8H11NO3S

>  <MolWeight> (830)
201.24284

>  <PCAT_CMPD_ID> (830)
WAY-386778

>  <CNC_ID> (830)
359413506

>  <transfer_container_id> (830)
PTN000000073

>  <COMPOUND_NUMBER> (830)
WAY-386778

>  <BAR_CODE_NO> (830)
2548713

>  <LOCATION_CODE> (830)
PTNCS

>  <AMOUNT_CURRENT> (830)
32.1

$$$$
WAY-386790
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.7208   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2458    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -3.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.5458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    0.2208    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  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11 25  1  0  0  0  0
 12 10  2  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 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  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22  6  1  0  0  0  0
 23  9  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
  6  3  2  0  0  0  0
 16 17  2  0  0  0  0
 24 11  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (831)
831

>  <Formula> (831)
C20H18Cl2N2O2

>  <MolWeight> (831)
389.27512

>  <PCAT_CMPD_ID> (831)
WAY-386790

>  <CNC_ID> (831)
359413517

>  <transfer_container_id> (831)
PTN000000073

>  <COMPOUND_NUMBER> (831)
WAY-386790

>  <BAR_CODE_NO> (831)
2548532

>  <LOCATION_CODE> (831)
PTNCS

>  <AMOUNT_CURRENT> (831)
29.2

$$$$
WAY-386792
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.2500   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0542    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    2.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.2500    0.0000 C   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
   -1.3333    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    2.1000    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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 17  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  2  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  2  0  0  0  0
 19  9  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 20  1  0  0  0  0
 11 15  2  0  0  0  0
 20 21  2  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (832)
832

>  <Formula> (832)
C18H16O3S2

>  <MolWeight> (832)
344.44784

>  <PCAT_CMPD_ID> (832)
WAY-386792

>  <CNC_ID> (832)
359413518

>  <transfer_container_id> (832)
PTN000000073

>  <COMPOUND_NUMBER> (832)
WAY-386792

>  <BAR_CODE_NO> (832)
2548533

>  <LOCATION_CODE> (832)
PTNCS

>  <AMOUNT_CURRENT> (832)
32.1

$$$$
WAY-386794
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.3167   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -1.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -6.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -3.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -4.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -8.2792    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  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 15  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  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  7  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  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  2  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
 29 24  1  0  0  0  0
  4  5  1  0  0  0  0
 16  9  1  0  0  0  0
 27 28  2  0  0  0  0
 25 29  2  0  0  0  0
M  END
>  <Mol_ID> (833)
833

>  <Formula> (833)
C22H21N3O3S

>  <MolWeight> (833)
407.48544

>  <PCAT_CMPD_ID> (833)
WAY-386794

>  <CNC_ID> (833)
359413520

>  <transfer_container_id> (833)
PTN000000073

>  <COMPOUND_NUMBER> (833)
WAY-386794

>  <BAR_CODE_NO> (833)
2548535

>  <LOCATION_CODE> (833)
PTNCS

>  <AMOUNT_CURRENT> (833)
32.6

$$$$
WAY-386810
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.8667   -7.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -9.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -8.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167  -11.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9375   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -7.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542  -12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792  -13.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875  -12.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375  -15.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625  -15.0167    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  6  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  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  2  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  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 12  1  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 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  5  1  0  0  0  0
 23 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (834)
834

>  <Formula> (834)
C19H17N3O4

>  <MolWeight> (834)
351.35598

>  <PCAT_CMPD_ID> (834)
WAY-386810

>  <CNC_ID> (834)
359413536

>  <transfer_container_id> (834)
PTN000000073

>  <COMPOUND_NUMBER> (834)
WAY-386810

>  <BAR_CODE_NO> (834)
2548674

>  <LOCATION_CODE> (834)
PTNCS

>  <AMOUNT_CURRENT> (834)
32.1

$$$$
WAY-386830
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.0000   -6.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -9.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -4.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -11.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125  -10.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -7.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -12.6167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -7.4375    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 16  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 12  1  0  0  0  0
 11  7  1  0  0  0  0
 12 14  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15  1  1  0  0  0  0
 16 21  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19  5  1  0  0  0  0
 20  4  1  0  0  0  0
 21 15  1  0  0  0  0
 22  7  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 20  2  0  0  0  0
 26 19  2  0  0  0  0
  4  5  2  0  0  0  0
 25 26  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
>  <Mol_ID> (835)
835

>  <Formula> (835)
C18H13F2NO5

>  <MolWeight> (835)
361.2963264

>  <PCAT_CMPD_ID> (835)
WAY-386830

>  <CNC_ID> (835)
359413556

>  <transfer_container_id> (835)
PTN000000073

>  <COMPOUND_NUMBER> (835)
WAY-386830

>  <BAR_CODE_NO> (835)
2548623

>  <LOCATION_CODE> (835)
PTNCS

>  <AMOUNT_CURRENT> (835)
32.1

$$$$
WAY-386866
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.1667   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -8.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -7.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -9.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -6.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -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  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 12  1  0  0  0  0
  9  7  3  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 20  2  0  0  0  0
 15  8  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 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
 25 13  1  0  0  0  0
 26 13  1  0  0  0  0
 27 13  1  0  0  0  0
  5  4  2  0  0  0  0
 22 24  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (836)
836

>  <Formula> (836)
C21H22N2O3S

>  <MolWeight> (836)
382.47598

>  <PCAT_CMPD_ID> (836)
WAY-386866

>  <CNC_ID> (836)
359413601

>  <transfer_container_id> (836)
PTN000000073

>  <COMPOUND_NUMBER> (836)
WAY-386866

>  <BAR_CODE_NO> (836)
2548730

>  <LOCATION_CODE> (836)
PTNCS

>  <AMOUNT_CURRENT> (836)
33

$$$$
WAY-386868
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.3600    4.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768    7.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578    4.8662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0452    3.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2768    6.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831    8.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    7.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789    6.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9895    7.2877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3282    2.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768    9.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915    8.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8768    6.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662   10.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578   10.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0254    9.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0684    6.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4452    3.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9198    2.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0050    1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4727    6.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1684    4.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2134    1.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2902    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8944    0.0232    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  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  2  2  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  5  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 14  1  0  0  0  0
 18  1  1  0  0  0  0
 19  4  1  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  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
 19 23  2  0  0  0  0
 24 26  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (837)
837

>  <Formula> (837)
C21H17NO4

>  <MolWeight> (837)
347.36398

>  <PCAT_CMPD_ID> (837)
WAY-386868

>  <CNC_ID> (837)
359413603

>  <transfer_container_id> (837)
PTN000000073

>  <COMPOUND_NUMBER> (837)
WAY-386868

>  <BAR_CODE_NO> (837)
2548756

>  <LOCATION_CODE> (837)
PTNCS

>  <AMOUNT_CURRENT> (837)
32.8

$$$$
WAY-386884
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.0167   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667   -7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9000   -9.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -6.4792    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
    9.6042   -6.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  4 13  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  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 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14  3  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  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
 17 19  2  0  0  0  0
  4  2  2  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C14H11N3O3

>  <MolWeight> (838)
269.25544

>  <PCAT_CMPD_ID> (838)
WAY-386884

>  <CNC_ID> (838)
359413619

>  <transfer_container_id> (838)
PTN000000073

>  <COMPOUND_NUMBER> (838)
WAY-386884

>  <BAR_CODE_NO> (838)
2548752

>  <LOCATION_CODE> (838)
PTNCS

>  <AMOUNT_CURRENT> (838)
32.2

$$$$
WAY-386897
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.7792   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -1.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    0.9500    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  2  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  5  1  0  0  0  0
  9  8  1  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  7  2  0  0  0  0
 14 21  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17  9  1  0  0  0  0
 18  9  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
 22 11  2  0  0  0  0
 23 11  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
  4  5  1  0  0  0  0
 16 13  1  0  0  0  0
 14 20  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C22H26N4O

>  <MolWeight> (839)
362.46804

>  <PCAT_CMPD_ID> (839)
WAY-386897

>  <CNC_ID> (839)
359413632

>  <transfer_container_id> (839)
PTN000000073

>  <COMPOUND_NUMBER> (839)
WAY-386897

>  <BAR_CODE_NO> (839)
2548781

>  <LOCATION_CODE> (839)
PTNCS

>  <AMOUNT_CURRENT> (839)
33

$$$$
WAY-386996
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.7250   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -3.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7250   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -6.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -4.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -6.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -2.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1292    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  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  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  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 12  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
 22 17  2  0  0  0  0
 23 20  2  0  0  0  0
  6  4  1  0  0  0  0
 23 22  1  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (840)
840

>  <Formula> (840)
C18H15ClN2OS

>  <MolWeight> (840)
342.8425

>  <PCAT_CMPD_ID> (840)
WAY-386996

>  <CNC_ID> (840)
359413726

>  <transfer_container_id> (840)
PTN000000073

>  <COMPOUND_NUMBER> (840)
WAY-386996

>  <BAR_CODE_NO> (840)
2548858

>  <LOCATION_CODE> (840)
PTNCS

>  <AMOUNT_CURRENT> (840)
32.3

$$$$
WAY-387256
csChFnd80/11182011152D

 17 19  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
   -1.2625   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    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  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  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  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  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
  5  2  2  0  0  0  0
 11 10  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (841)
841

>  <Formula> (841)
C14H10O3

>  <MolWeight> (841)
226.2274

>  <PCAT_CMPD_ID> (841)
WAY-387256

>  <CNC_ID> (841)
359413799

>  <transfer_container_id> (841)
PTN000000073

>  <COMPOUND_NUMBER> (841)
WAY-387256

>  <BAR_CODE_NO> (841)
2549758

>  <LOCATION_CODE> (841)
PTNCS

>  <AMOUNT_CURRENT> (841)
30.4

$$$$
WAY-387701
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0514    0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6569    0.6445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0236   -1.4763    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986   -0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389    0.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111   -0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861   -0.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014    1.3237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1056    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611   -2.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861   -0.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7944   -1.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819   -1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1806    0.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681    1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4639    0.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4556    1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -1.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5306    2.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5431    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6236   -2.5513    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  7  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  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  3  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  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  3  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
  8  4  1  0  0  0  0
 13  6  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (842)
842

>  <Formula> (842)
C17H18N2O3S

>  <MolWeight> (842)
330.40142

>  <PCAT_CMPD_ID> (842)
WAY-387701

>  <CNC_ID> (842)
359413820

>  <transfer_container_id> (842)
PTN000000073

>  <COMPOUND_NUMBER> (842)
WAY-387701

>  <BAR_CODE_NO> (842)
2549682

>  <LOCATION_CODE> (842)
PTNCS

>  <AMOUNT_CURRENT> (842)
32.6

$$$$
WAY-387778
csChFnd80/11182011152D

 28 30  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
   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
    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
    9.8917    0.6875    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
    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
   11.1250    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375    4.8917    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
   12.3167    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167    2.7875    0.0000 C   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
   12.3167    2.0875    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  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13 16  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17 22  1  0  0  0  0
 18 17  2  0  0  0  0
 19  3  1  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  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 20  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
  4  6  1  0  0  0  0
 28 27  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (843)
843

>  <Formula> (843)
C22H22N2O3S

>  <MolWeight> (843)
394.48668

>  <PCAT_CMPD_ID> (843)
WAY-387778

>  <CNC_ID> (843)
359413850

>  <transfer_container_id> (843)
PTN000000073

>  <COMPOUND_NUMBER> (843)
WAY-387778

>  <BAR_CODE_NO> (843)
2549666

>  <LOCATION_CODE> (843)
PTNCS

>  <AMOUNT_CURRENT> (843)
32.3

$$$$
WAY-387798
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4042   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -2.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542   -7.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -5.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -5.7667    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  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7 14  1  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  9  1  0  0  0  0
 12  5  2  0  0  0  0
 13  7  2  0  0  0  0
 14 17  1  0  0  0  0
 15  8  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  1  0  0  0  0
 20  8  1  0  0  0  0
 18 16  2  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (844)
844

>  <Formula> (844)
C15H14FNO2S

>  <MolWeight> (844)
291.3405632

>  <PCAT_CMPD_ID> (844)
WAY-387798

>  <CNC_ID> (844)
359413870

>  <transfer_container_id> (844)
PTN000000073

>  <COMPOUND_NUMBER> (844)
WAY-387798

>  <BAR_CODE_NO> (844)
2549731

>  <LOCATION_CODE> (844)
PTNCS

>  <AMOUNT_CURRENT> (844)
29.6

$$$$
WAY-387953
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.1398    3.6856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6223    1.2880    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5651    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2926    2.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084    1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913    9.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    8.5175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    6.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0030    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0780    6.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   10.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957    9.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2960    6.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913    4.8776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1913    7.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0808    2.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2263    4.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5335    0.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6744    2.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    8.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002   10.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6264    4.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4150    1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3608    3.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1425    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001   10.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    8.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7254    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  9  1  0  0  0  0
  9 17  1  0  0  0  0
 10 15  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 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18  3  2  0  0  0  0
 19  4  1  0  0  0  0
 20  7  2  0  0  0  0
 21  6  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
  2  7  1  0  0  0  0
 21 26  2  0  0  0  0
 27 20  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C23H18N2O4S

>  <MolWeight> (845)
418.46502

>  <PCAT_CMPD_ID> (845)
WAY-387953

>  <CNC_ID> (845)
359414009

>  <transfer_container_id> (845)
PTN000000073

>  <COMPOUND_NUMBER> (845)
WAY-387953

>  <BAR_CODE_NO> (845)
2549873

>  <LOCATION_CODE> (845)
PTNCS

>  <AMOUNT_CURRENT> (845)
32.4

$$$$
WAY-387972
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.0792   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -6.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -5.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -8.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -3.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -3.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8417   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -5.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -10.5000    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  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  8  1  0  0  0  0
 10  3  2  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  5  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17  6  2  0  0  0  0
 18 19  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 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  1  0  0  0  0
  6  4  1  0  0  0  0
 17 25  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C19H25N3O3S

>  <MolWeight> (846)
375.4851

>  <PCAT_CMPD_ID> (846)
WAY-387972

>  <CNC_ID> (846)
359414027

>  <transfer_container_id> (846)
PTN000000073

>  <COMPOUND_NUMBER> (846)
WAY-387972

>  <BAR_CODE_NO> (846)
2549942

>  <LOCATION_CODE> (846)
PTNCS

>  <AMOUNT_CURRENT> (846)
32.7

$$$$
WAY-387988
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    5.2875   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -3.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -5.4167    0.0000 O   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
    7.4417   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6750   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  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  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13 14  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 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
  5  2  1  0  0  0  0
  8 13  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C15H13N3O

>  <MolWeight> (847)
251.28322

>  <PCAT_CMPD_ID> (847)
WAY-387988

>  <CNC_ID> (847)
359414042

>  <transfer_container_id> (847)
PTN000000073

>  <COMPOUND_NUMBER> (847)
WAY-387988

>  <BAR_CODE_NO> (847)
2550143

>  <LOCATION_CODE> (847)
PTNCS

>  <AMOUNT_CURRENT> (847)
32.3

$$$$
WAY-387990
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.6125   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -5.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -7.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -9.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -7.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -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  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 10  2  0  0  0  0
  8  6  2  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  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  9  1  0  0  0  0
 17  3  1  0  0  0  0
 18  5  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 17 18  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C14H16N2O3S

>  <MolWeight> (848)
292.35344

>  <PCAT_CMPD_ID> (848)
WAY-387990

>  <CNC_ID> (848)
359414044

>  <transfer_container_id> (848)
PTN000000073

>  <COMPOUND_NUMBER> (848)
WAY-387990

>  <BAR_CODE_NO> (848)
2550145

>  <LOCATION_CODE> (848)
PTNCS

>  <AMOUNT_CURRENT> (848)
32.3

$$$$
WAY-388036
csChFnd80/11182011152D

 29 30  0  0  0  0  0  0  0  0999 V2000
   12.0292  -13.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -8.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -9.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667  -10.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0125  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292  -10.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -7.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1875  -13.6792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667  -14.1750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -12.3542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.7042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -1.5417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -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  2  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 12  1  0  0  0  0
  8  9  2  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  2  2  0  0  0  0
 13 21  1  0  0  0  0
 14  4  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  1  1  0  0  0  0
 19  1  1  0  0  0  0
 20  1  1  0  0  0  0
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23 10  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26  4  2  0  0  0  0
 27 14  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
  8  3  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C17H12Cl2F3N3O4

>  <MolWeight> (849)
450.1960896

>  <PCAT_CMPD_ID> (849)
WAY-388036

>  <CNC_ID> (849)
359414089

>  <transfer_container_id> (849)
PTN000000073

>  <COMPOUND_NUMBER> (849)
WAY-388036

>  <BAR_CODE_NO> (849)
2549962

>  <LOCATION_CODE> (849)
PTNCS

>  <AMOUNT_CURRENT> (849)
32.4

$$$$
WAY-388068
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.1098    4.1472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7288    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4032    5.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1752    7.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772    6.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160    4.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1406   10.1440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811    6.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036   10.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8633    8.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8972    2.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    5.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0821    6.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844    5.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9986    2.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7782    7.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132    8.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4749    2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8095    0.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3780    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417    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  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 17  2  0  0  0  0
 10  4  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  2  0  0  0  0
 15  6  1  0  0  0  0
 16  4  2  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19  2  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 15 11  1  0  0  0  0
 22 20  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C16H13ClN2O3

>  <MolWeight> (850)
316.73902

>  <PCAT_CMPD_ID> (850)
WAY-388068

>  <CNC_ID> (850)
359414121

>  <transfer_container_id> (850)
PTN000000073

>  <COMPOUND_NUMBER> (850)
WAY-388068

>  <BAR_CODE_NO> (850)
2550009

>  <LOCATION_CODE> (850)
PTNCS

>  <AMOUNT_CURRENT> (850)
32.5

$$$$
WAY-388071
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.0792   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -6.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.1708    0.0000 N   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
   10.1042   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792  -10.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4542   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.9917    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  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8 16  2  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  2  1  0  0  0  0
 13 10  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  9  1  0  0  0  0
 18  9  2  0  0  0  0
  8 15  1  0  0  0  0
 11  4  2  0  0  0  0
M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C13H9Cl2NO2

>  <MolWeight> (851)
282.12206

>  <PCAT_CMPD_ID> (851)
WAY-388071

>  <CNC_ID> (851)
359414124

>  <transfer_container_id> (851)
PTN000000073

>  <COMPOUND_NUMBER> (851)
WAY-388071

>  <BAR_CODE_NO> (851)
2550012

>  <LOCATION_CODE> (851)
PTNCS

>  <AMOUNT_CURRENT> (851)
32.8

$$$$
WAY-117668
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.6036   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208   -1.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -1.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6036   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208   -2.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -2.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208    0.3601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6036   -2.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6036   -3.1882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4481    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -3.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274   -0.0330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4481    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930    1.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274    1.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102    2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102    3.5118    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
  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
 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  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  8  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C17H17ClN2O3

>  <MolWeight> (852)
332.78148

>  <PCAT_CMPD_ID> (852)
WAY-117668

>  <CNC_ID> (852)
359420102

>  <transfer_container_id> (852)
PTN000000074

>  <COMPOUND_NUMBER> (852)
WAY-117668

>  <BAR_CODE_NO> (852)
3911416

>  <LOCATION_CODE> (852)
PTNCS

>  <AMOUNT_CURRENT> (852)
33.4

$$$$
WAY-118511-A
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.6480    1.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    2.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652    1.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480    2.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    1.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549    3.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    0.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031    1.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    1.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997    3.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790   -0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6549    2.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549   -0.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727   -0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997   -1.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003   -1.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520   -1.2580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8451   -1.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8348   -2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7451   -1.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3210   -2.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5727   -2.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210   -3.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4727   -3.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  8 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
 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
  7  9  2  0  0  0  0
 17 18  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (853)
853

>  <Formula> (853)
C19H24N2O4

>  <MolWeight> (853)
344.40486

>  <PCAT_CMPD_ID> (853)
WAY-118511-A

>  <CNC_ID> (853)
359420111

>  <transfer_container_id> (853)
PTN000000074

>  <COMPOUND_NUMBER> (853)
WAY-118511-A

>  <BAR_CODE_NO> (853)
3913015

>  <LOCATION_CODE> (853)
PTNCS

>  <AMOUNT_CURRENT> (853)
33.6

$$$$
WAY-118671
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2899    0.1933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657    0.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0347    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036    1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1481    0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347   -1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -0.6619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9140    2.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0136   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274   -1.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -1.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860   -1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757    0.2623    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
  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
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (854)
854

>  <Formula> (854)
C17H25FN2

>  <MolWeight> (854)
276.3922032

>  <PCAT_CMPD_ID> (854)
WAY-118671

>  <CNC_ID> (854)
359420117

>  <transfer_container_id> (854)
PTN000000074

>  <COMPOUND_NUMBER> (854)
WAY-118671

>  <BAR_CODE_NO> (854)
3912894

>  <LOCATION_CODE> (854)
PTNCS

>  <AMOUNT_CURRENT> (854)
33.8

$$$$
WAY-118954-A
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.4545    3.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    2.1067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110    4.1924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013    4.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987    2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4265    1.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8169    1.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8806    3.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0937    3.0006    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036    5.5543    0.0000 C   0  0  0  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  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16  5  1  0  0  0  0
  4  6  2  0  0  0  0
  8 10  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C11H10N4S

>  <MolWeight> (855)
230.2889

>  <PCAT_CMPD_ID> (855)
WAY-118954-A

>  <CNC_ID> (855)
359420119

>  <transfer_container_id> (855)
PTN000000074

>  <COMPOUND_NUMBER> (855)
WAY-118954-A

>  <BAR_CODE_NO> (855)
3912835

>  <LOCATION_CODE> (855)
PTNCS

>  <AMOUNT_CURRENT> (855)
33.8

$$$$
WAY-119091
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4715  -11.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240  -11.9950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5285  -11.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9975  -12.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735  -12.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515  -12.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085  -13.7110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890  -11.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035  -11.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4575  -11.6070    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4865  -14.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1455  -12.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2775  -12.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2940  -12.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375  -11.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1725  -13.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1635  -13.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200  -14.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610  -14.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2510  -15.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035  -15.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1825  -15.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1295  -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  4  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 16  1  0  0  0  0
  8  1  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  2  2  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 14  1  0  0  0  0
 17 13  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 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
  3  9  2  0  0  0  0
 17  7  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C15H14FN3O4

>  <MolWeight> (856)
319.2877632

>  <PCAT_CMPD_ID> (856)
WAY-119091

>  <CNC_ID> (856)
359420120

>  <transfer_container_id> (856)
PTN000000074

>  <COMPOUND_NUMBER> (856)
WAY-119091

>  <BAR_CODE_NO> (856)
3912001

>  <LOCATION_CODE> (856)
PTNCS

>  <AMOUNT_CURRENT> (856)
33.5

$$$$
WAY-119580
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.5112    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7189    2.1242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2964    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    4.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    1.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    3.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7049    3.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    3.4882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    2.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8595    3.4313    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5254    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0816    1.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9126    4.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8595    2.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0529    4.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1274    3.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    4.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4899    4.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219    1.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984    5.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1274    2.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4615    5.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213    2.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6623    6.3015    0.0000 C   0  0  0  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 14  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  5  1  0  0  0  0
 10 15  1  0  0  0  0
 11  1  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  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  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 17  2  0  0  0  0
 23 18  2  0  0  0  0
 24 19  2  0  0  0  0
 25 23  1  0  0  0  0
 25 20  2  0  0  0  0
  9  6  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C18H18N2O5

>  <MolWeight> (857)
342.34592

>  <PCAT_CMPD_ID> (857)
WAY-119580

>  <CNC_ID> (857)
359420125

>  <transfer_container_id> (857)
PTN000000074

>  <COMPOUND_NUMBER> (857)
WAY-119580

>  <BAR_CODE_NO> (857)
3912859

>  <LOCATION_CODE> (857)
PTNCS

>  <AMOUNT_CURRENT> (857)
33.8

$$$$
WAY-217023
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.2826    3.6955    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9189    4.0386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6611    2.3493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    3.0266    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6845    1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4999    3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3556    1.6893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5669    5.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6223    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    2.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995    2.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5436    6.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0715    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5057    4.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9210    4.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    5.7718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2441    4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8784    4.4345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0775    1.7859    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8726    2.7715    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8804    5.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8722    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1300    7.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4528    8.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1066    8.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8664    7.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3228    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4559    9.3882    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5486    4.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9502    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0206    0.0000 C   0  0  0  0  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  9  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  1  1  0  0  0  0
 15 21  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  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 17  1  0  0  0  0
 22 12  2  0  0  0  0
 23 12  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 11  1  0  0  0  0
 28 24  1  0  0  0  0
 29 15  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  1  0  0  0  0
  4  7  1  0  0  0  0
 26 24  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C20H18ClF3N2O5

>  <MolWeight> (858)
458.8155296

>  <PCAT_CMPD_ID> (858)
WAY-217023

>  <CNC_ID> (858)
359420162

>  <transfer_container_id> (858)
PTN000000074

>  <COMPOUND_NUMBER> (858)
WAY-217023

>  <BAR_CODE_NO> (858)
3911783

>  <LOCATION_CODE> (858)
PTNCS

>  <AMOUNT_CURRENT> (858)
33.6

$$$$
WAY-217437
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2090    6.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090    5.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4259    5.0703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    4.3595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4259    6.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393    6.6933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    7.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863    4.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    2.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    8.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140    4.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212   10.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3277    6.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   12.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   14.1076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   10.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0318   11.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   12.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   11.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    2.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956    2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956    0.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1349    0.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    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  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  7  1  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  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 19  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 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 10  1  0  0  0  0
 22 10  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  3  1  0  0  0  0
 20 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C18H17FN4O2

>  <MolWeight> (859)
340.3515832

>  <PCAT_CMPD_ID> (859)
WAY-217437

>  <CNC_ID> (859)
359420166

>  <transfer_container_id> (859)
PTN000000074

>  <COMPOUND_NUMBER> (859)
WAY-217437

>  <BAR_CODE_NO> (859)
3913545

>  <LOCATION_CODE> (859)
PTNCS

>  <AMOUNT_CURRENT> (859)
33.8

$$$$
WAY-217593
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.2586    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -0.5038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690   -0.5038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    1.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    0.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690    1.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -0.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311   -0.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690    2.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -1.5797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311    1.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655    0.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793   -2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621    1.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  8 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
 14 17  1  0  0  0  0
 15 18  2  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> (860)
860

>  <Formula> (860)
C15H19N3

>  <MolWeight> (860)
241.33146

>  <PCAT_CMPD_ID> (860)
WAY-217593

>  <CNC_ID> (860)
359420167

>  <transfer_container_id> (860)
PTN000000074

>  <COMPOUND_NUMBER> (860)
WAY-217593

>  <BAR_CODE_NO> (860)
3912849

>  <LOCATION_CODE> (860)
PTNCS

>  <AMOUNT_CURRENT> (860)
33.7

$$$$
WAY-218351
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.9238   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2100   -0.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411   -0.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894   -0.5242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2100   -1.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411   -1.7622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6411    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -0.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9279   -0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -3.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9279    0.2861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486    0.6965    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3658    1.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    1.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0589   -0.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762    1.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7969    1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1106    2.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8106    1.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  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
 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
 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
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 15 17  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C20H21N3O2S

>  <MolWeight> (861)
367.46464

>  <PCAT_CMPD_ID> (861)
WAY-218351

>  <CNC_ID> (861)
359420171

>  <transfer_container_id> (861)
PTN000000074

>  <COMPOUND_NUMBER> (861)
WAY-218351

>  <BAR_CODE_NO> (861)
3911928

>  <LOCATION_CODE> (861)
PTNCS

>  <AMOUNT_CURRENT> (861)
33.6

$$$$
WAY-218415
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.0966    0.2656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    1.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    2.7449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4345    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -0.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -2.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    3.9794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4586    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    3.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103   -2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -3.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7207    4.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -3.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655   -3.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -4.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276   -1.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9276   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0655    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  1  0  0  0  0
  9 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
 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
 10 11  2  0  0  0  0
 13 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C19H18N4O3

>  <MolWeight> (862)
350.37122

>  <PCAT_CMPD_ID> (862)
WAY-218415

>  <CNC_ID> (862)
359420174

>  <transfer_container_id> (862)
PTN000000074

>  <COMPOUND_NUMBER> (862)
WAY-218415

>  <BAR_CODE_NO> (862)
3911699

>  <LOCATION_CODE> (862)
PTNCS

>  <AMOUNT_CURRENT> (862)
33.6

$$$$
WAY-218641
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.6611    2.4489    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6611    3.8156    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4366    1.7376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    4.5268    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2307    2.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3661    1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    3.8156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    4.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    5.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    3.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3696    2.4798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    8.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    3.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    8.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    5.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2910    4.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7425    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6611    6.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301    3.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0649    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353    0.5133    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5843    1.9233    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6611    8.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0434    8.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181   10.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0618   10.0862    0.0000 C   0  0  0  0  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  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14  5  2  0  0  0  0
 15  1  1  0  0  0  0
 16 25  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  2  0  0  0  0
 19 11  1  0  0  0  0
 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
 25 20  1  0  0  0  0
 26 13  1  0  0  0  0
 27 16  1  0  0  0  0
 28 26  1  0  0  0  0
  4  7  1  0  0  0  0
 21 19  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (863)
863

>  <Formula> (863)
C17H15F3N2O5S

>  <MolWeight> (863)
416.3716096

>  <PCAT_CMPD_ID> (863)
WAY-218641

>  <CNC_ID> (863)
359420178

>  <transfer_container_id> (863)
PTN000000074

>  <COMPOUND_NUMBER> (863)
WAY-218641

>  <BAR_CODE_NO> (863)
3911788

>  <LOCATION_CODE> (863)
PTNCS

>  <AMOUNT_CURRENT> (863)
33.5

$$$$
WAY-218964
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3844    6.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    7.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798    5.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509    3.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2855    5.6089    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2855    6.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7368    6.3434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    4.6644    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6064    2.2506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033    2.9385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1046    8.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9645    3.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2299    1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    0.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483    5.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2855    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    3.9297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4365    7.5677    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
    4.6642    1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8475    5.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8357    3.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8357    7.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5354    6.4483    0.0000 C   0  0  0  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  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  4  2  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  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  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 18  1  0  0  0  0
 24 23  2  0  0  0  0
  5  6  1  0  0  0  0
 21 24  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (864)
864

>  <Formula> (864)
C17H17N3O3S

>  <MolWeight> (864)
343.40018

>  <PCAT_CMPD_ID> (864)
WAY-218964

>  <CNC_ID> (864)
359420184

>  <transfer_container_id> (864)
PTN000000074

>  <COMPOUND_NUMBER> (864)
WAY-218964

>  <BAR_CODE_NO> (864)
3912848

>  <LOCATION_CODE> (864)
PTNCS

>  <AMOUNT_CURRENT> (864)
33.1

$$$$
WAY-221951
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.9985   -4.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9890   -4.9595    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4870   -4.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4870   -5.8330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4885   -4.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4655   -5.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5060   -5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8590   -3.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4775   -4.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0680   -2.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4865   -4.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2175   -3.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640   -4.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4980   -5.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0160   -6.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9810   -3.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640   -6.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9825   -3.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9425   -6.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290   -7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4770   -2.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4190   -7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4685   -2.3440    0.0000 C   0  0  0  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  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  3  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  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15 14  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 11  2  0  0  0  0
 20 18  1  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
 24 22  2  0  0  0  0
 15 11  1  0  0  0  0
 19 24  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (865)
865

>  <Formula> (865)
C20H21NO3

>  <MolWeight> (865)
323.38564

>  <PCAT_CMPD_ID> (865)
WAY-221951

>  <CNC_ID> (865)
359420189

>  <transfer_container_id> (865)
PTN000000074

>  <COMPOUND_NUMBER> (865)
WAY-221951

>  <BAR_CODE_NO> (865)
3911913

>  <LOCATION_CODE> (865)
PTNCS

>  <AMOUNT_CURRENT> (865)
33.6

$$$$
WAY-224869
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3433    1.9450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568    1.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0468    3.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    4.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992    0.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3008    3.0907    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6566    3.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6867    2.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8873    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4766    1.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    3.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1303    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522    0.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2856    0.4945    0.0000 C   0  0  0  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  1  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 13  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  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 15  1  0  0  0  0
  4  7  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (866)
866

>  <Formula> (866)
C11H13NO3S

>  <MolWeight> (866)
239.29082

>  <PCAT_CMPD_ID> (866)
WAY-224869

>  <CNC_ID> (866)
359420197

>  <transfer_container_id> (866)
PTN000000074

>  <COMPOUND_NUMBER> (866)
WAY-224869

>  <BAR_CODE_NO> (866)
3913351

>  <LOCATION_CODE> (866)
PTNCS

>  <AMOUNT_CURRENT> (866)
33.2

$$$$
WAY-224994
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -9.8790   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4250   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1915   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1750   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5040   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0625   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3165    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2790   -4.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5625   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    0.6875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2250   -3.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -11.9125   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4875   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1875   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -6.3125    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  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 13  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  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  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 16  2  0  0  0  0
  4  5  2  0  0  0  0
  8 14  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (867)
867

>  <Formula> (867)
C15H18N2O3

>  <MolWeight> (867)
274.31502

>  <PCAT_CMPD_ID> (867)
WAY-224994

>  <CNC_ID> (867)
359420198

>  <transfer_container_id> (867)
PTN000000074

>  <COMPOUND_NUMBER> (867)
WAY-224994

>  <BAR_CODE_NO> (867)
3913341

>  <LOCATION_CODE> (867)
PTNCS

>  <AMOUNT_CURRENT> (867)
33.4

$$$$
WAY-225895-B
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5182   -0.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423   -0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4768   -0.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370   -0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4734    1.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4527   -0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -1.7826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4527    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128   -2.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7301   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163   -0.7516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9990    0.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9887    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0335    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163    1.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577    1.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508    2.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (868)
868

>  <Formula> (868)
C18H22N2O

>  <MolWeight> (868)
282.38008

>  <PCAT_CMPD_ID> (868)
WAY-225895-B

>  <CNC_ID> (868)
359420201

>  <transfer_container_id> (868)
PTN000000074

>  <COMPOUND_NUMBER> (868)
WAY-225895-B

>  <BAR_CODE_NO> (868)
3911283

>  <LOCATION_CODE> (868)
PTNCS

>  <AMOUNT_CURRENT> (868)
33.9

$$$$
WAY-226083
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.1862    1.5850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    2.1540    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    2.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380    1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6104    3.1402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    2.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793    1.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.4437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380   -0.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7758   -0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724   -0.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7758   -1.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -1.9012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517   -0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655   -1.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3311   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7517   -1.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -3.7012    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  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
 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
  9 12  1  0  0  0  0
 14 16  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C17H20N4O3S

>  <MolWeight> (869)
360.4307

>  <PCAT_CMPD_ID> (869)
WAY-226083

>  <CNC_ID> (869)
359420202

>  <transfer_container_id> (869)
PTN000000074

>  <COMPOUND_NUMBER> (869)
WAY-226083

>  <BAR_CODE_NO> (869)
3911905

>  <LOCATION_CODE> (869)
PTNCS

>  <AMOUNT_CURRENT> (869)
33.8

$$$$
WAY-227082
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8207    0.6548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897    0.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4828   -1.4590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207    1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793   -1.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4655    1.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1483   -1.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8862    0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172   -0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0966    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586   -2.7763    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
 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
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C15H19N3O

>  <MolWeight> (870)
257.33086

>  <PCAT_CMPD_ID> (870)
WAY-227082

>  <CNC_ID> (870)
359420213

>  <transfer_container_id> (870)
PTN000000074

>  <COMPOUND_NUMBER> (870)
WAY-227082

>  <BAR_CODE_NO> (870)
3912394

>  <LOCATION_CODE> (870)
PTNCS

>  <AMOUNT_CURRENT> (870)
33.1

$$$$
WAY-228184
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.5860    0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -0.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3239    0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895    2.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0588   -0.7825    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2101   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5860    3.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7968   -0.7720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0588    0.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0588   -2.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9722   -0.7479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3377    3.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036   -2.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4554   -2.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4554    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036   -0.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  5 12  2  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
 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
  7 13  1  0  0  0  0
  9 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C15H16FNO2S

>  <MolWeight> (871)
293.3564432

>  <PCAT_CMPD_ID> (871)
WAY-228184

>  <CNC_ID> (871)
359420218

>  <transfer_container_id> (871)
PTN000000074

>  <COMPOUND_NUMBER> (871)
WAY-228184

>  <BAR_CODE_NO> (871)
3912047

>  <LOCATION_CODE> (871)
PTNCS

>  <AMOUNT_CURRENT> (871)
33.4

$$$$
WAY-228257
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.1066    2.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3976    3.5863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2906    2.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3976    1.1744    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4975    2.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0104    1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014    2.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1816    1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872    1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908    2.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1816    3.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872    3.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3317    2.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819    2.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2119    1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2119    3.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6119    3.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6119    1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5700    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  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 12  2  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13 18  1  0  0  0  0
 14  9  1  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 17  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
  6  3  2  0  0  0  0
 13 19  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C15H18N2O3S

>  <MolWeight> (872)
306.38002

>  <PCAT_CMPD_ID> (872)
WAY-228257

>  <CNC_ID> (872)
359420220

>  <transfer_container_id> (872)
PTN000000074

>  <COMPOUND_NUMBER> (872)
WAY-228257

>  <BAR_CODE_NO> (872)
3912048

>  <LOCATION_CODE> (872)
PTNCS

>  <AMOUNT_CURRENT> (872)
33.6

$$$$
WAY-228366
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.5235    2.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066    2.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6628    1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8066    2.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5235    3.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5984    1.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0781    4.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4795    0.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209    4.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3568    1.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038    2.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9504    1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5110    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    5.3675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693    1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4651    3.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9030    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  1  2  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  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  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  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
 10 12  1  0  0  0  0
  7  2  2  0  0  0  0
M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C12H11NO5

>  <MolWeight> (873)
249.21944

>  <PCAT_CMPD_ID> (873)
WAY-228366

>  <CNC_ID> (873)
359420221

>  <transfer_container_id> (873)
PTN000000074

>  <COMPOUND_NUMBER> (873)
WAY-228366

>  <BAR_CODE_NO> (873)
3912137

>  <LOCATION_CODE> (873)
PTNCS

>  <AMOUNT_CURRENT> (873)
33.1

$$$$
WAY-228697
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.0180   -1.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0180   -3.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240   -1.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7435   -0.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5360   -1.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1240   -4.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825   -2.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3065   -0.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7435    1.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0995   -1.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5720   -3.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0995   -3.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8245   -0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5720   -1.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8245   -4.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2975   -4.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510   -6.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -3.8900    0.0000 C   0  0  0  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  2  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11 14  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 11  1  0  0  0  0
 17  6  1  0  0  0  0
 18 16  1  0  0  0  0
  6  7  2  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C15H14O3

>  <MolWeight> (874)
242.26986

>  <PCAT_CMPD_ID> (874)
WAY-228697

>  <CNC_ID> (874)
359420225

>  <transfer_container_id> (874)
PTN000000074

>  <COMPOUND_NUMBER> (874)
WAY-228697

>  <BAR_CODE_NO> (874)
3913028

>  <LOCATION_CODE> (874)
PTNCS

>  <AMOUNT_CURRENT> (874)
33.4

$$$$
WAY-229350
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2202    4.9149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028    2.4150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9655    3.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    4.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    4.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028    4.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9066    6.1351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608    2.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253    3.6947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3890    3.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    8.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    7.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    6.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6519    1.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4825    6.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608    6.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    6.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9066    8.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9826    7.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7368    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  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  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  1  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  3  2  0  0  0  0
 15 23  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  2  1  0  0  0  0
 19 21  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  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
 22 15  1  0  0  0  0
  4  5  1  0  0  0  0
  7 19  2  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C17H18N2O4S

>  <MolWeight> (875)
346.40082

>  <PCAT_CMPD_ID> (875)
WAY-229350

>  <CNC_ID> (875)
359420229

>  <transfer_container_id> (875)
PTN000000074

>  <COMPOUND_NUMBER> (875)
WAY-229350

>  <BAR_CODE_NO> (875)
3911332

>  <LOCATION_CODE> (875)
PTNCS

>  <AMOUNT_CURRENT> (875)
33.8

$$$$
WAY-229810-A
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.9166    1.2119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0511    0.7110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789   -0.2890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811   -0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0511   -0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457   -0.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3685   -0.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3200   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6937   -1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897   -2.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2056   -2.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732   -1.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4158    2.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175    0.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7822    1.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6487    1.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097    1.7118    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  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  1  0  0  0  0
  5  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
  1 15  2  0  0  0  0
  1 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C14H28N2O2S

>  <MolWeight> (876)
288.44932

>  <PCAT_CMPD_ID> (876)
WAY-229810-A

>  <CNC_ID> (876)
359420237

>  <transfer_container_id> (876)
PTN000000074

>  <COMPOUND_NUMBER> (876)
WAY-229810-A

>  <BAR_CODE_NO> (876)
3911466

>  <LOCATION_CODE> (876)
PTNCS

>  <AMOUNT_CURRENT> (876)
33.2

$$$$
WAY-231406
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.2166    3.5467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8166    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444    4.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012    5.6934    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3810    4.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0412    2.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4578    1.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012    7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811    0.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    7.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145    7.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145    9.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    9.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012    9.8934    0.0000 C   0  0  0  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  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  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
  4  5  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C12H13NO3

>  <MolWeight> (877)
219.23652

>  <PCAT_CMPD_ID> (877)
WAY-231406

>  <CNC_ID> (877)
359420245

>  <transfer_container_id> (877)
PTN000000074

>  <COMPOUND_NUMBER> (877)
WAY-231406

>  <BAR_CODE_NO> (877)
3913137

>  <LOCATION_CODE> (877)
PTNCS

>  <AMOUNT_CURRENT> (877)
33.7

$$$$
WAY-231692
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0136   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240   -2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4137   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723   -3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3344   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657    2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554    2.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554    3.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3450    3.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  7 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  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
 21 22  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C18H21N3O

>  <MolWeight> (878)
295.37884

>  <PCAT_CMPD_ID> (878)
WAY-231692

>  <CNC_ID> (878)
359420248

>  <transfer_container_id> (878)
PTN000000074

>  <COMPOUND_NUMBER> (878)
WAY-231692

>  <BAR_CODE_NO> (878)
3912719

>  <LOCATION_CODE> (878)
PTNCS

>  <AMOUNT_CURRENT> (878)
33.9

$$$$
WAY-232089
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8392    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8392    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    0.0383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1049    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3559    3.5267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1049    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    4.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8392    4.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8392    6.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    6.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4355    9.0902    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  2  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  8  3  0  0  0  0
 10  7  3  0  0  0  0
 11  6  1  0  0  0  0
 12  4  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 15  1  0  0  0  0
 17 14  2  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
  4  5  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C15H14N4S

>  <MolWeight> (879)
282.36346

>  <PCAT_CMPD_ID> (879)
WAY-232089

>  <CNC_ID> (879)
359420250

>  <transfer_container_id> (879)
PTN000000074

>  <COMPOUND_NUMBER> (879)
WAY-232089

>  <BAR_CODE_NO> (879)
3912255

>  <LOCATION_CODE> (879)
PTNCS

>  <AMOUNT_CURRENT> (879)
33.3

$$$$
WAY-233215
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.2310   -0.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    0.8168    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -2.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -0.6832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -2.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345    1.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -2.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    2.4031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    2.4031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -3.6832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    3.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    3.3548    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
  5  9  1  0  0  0  0
  6 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  2  0  0  0  0
 12 15  1  0  0  0  0
  8 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C9H7Cl2N3S

>  <MolWeight> (880)
260.14298

>  <PCAT_CMPD_ID> (880)
WAY-233215

>  <CNC_ID> (880)
359420255

>  <transfer_container_id> (880)
PTN000000074

>  <COMPOUND_NUMBER> (880)
WAY-233215

>  <BAR_CODE_NO> (880)
3911272

>  <LOCATION_CODE> (880)
PTNCS

>  <AMOUNT_CURRENT> (880)
33.7

$$$$
WAY-233680
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.8214    2.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5983    2.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8494    3.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8554    4.1256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8214    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2645    4.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885    2.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5983    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0355    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8849    5.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7918    5.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    2.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438    6.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7046    0.0000 C   0  0  0  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  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  4  1  0  0  0  0
 12  6  1  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 13  2  0  0  0  0
 17 14  2  0  0  0  0
  6  4  1  0  0  0  0
  9  7  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C13H12N2O2

>  <MolWeight> (881)
228.24658

>  <PCAT_CMPD_ID> (881)
WAY-233680

>  <CNC_ID> (881)
359420258

>  <transfer_container_id> (881)
PTN000000074

>  <COMPOUND_NUMBER> (881)
WAY-233680

>  <BAR_CODE_NO> (881)
3913385

>  <LOCATION_CODE> (881)
PTNCS

>  <AMOUNT_CURRENT> (881)
33.1

$$$$
WAY-235260
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.2551    4.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    4.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668    4.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9633    2.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433    4.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666    2.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668    6.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9237    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1353    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5586    2.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9237    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7703    2.0924    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  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  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 12  1  0  0  0  0
 14 15  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
  7  8  2  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C14H12O3

>  <MolWeight> (882)
228.24328

>  <PCAT_CMPD_ID> (882)
WAY-235260

>  <CNC_ID> (882)
359420261

>  <transfer_container_id> (882)
PTN000000074

>  <COMPOUND_NUMBER> (882)
WAY-235260

>  <BAR_CODE_NO> (882)
3913156

>  <LOCATION_CODE> (882)
PTNCS

>  <AMOUNT_CURRENT> (882)
33.5

$$$$
WAY-236488
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0389    0.8398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2277   -1.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5298    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8145    3.2579    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3399   -0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176    1.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2272   -2.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7277   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7714   -2.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3235    3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240   -0.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.7426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9894   -3.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1984   -2.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6032   -0.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3472   -3.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9086    1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5118    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7099   -2.0085    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8064   -2.7168    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5827   -3.6929    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0553    2.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797    4.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6584    3.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7706    4.9600    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 13  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 15  4  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 11  2  0  0  0  0
 20  7  1  0  0  0  0
 21 14  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  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 25  2  0  0  0  0
 28 27  1  0  0  0  0
  5  7  1  0  0  0  0
 26 28  2  0  0  0  0
 21 20  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C19H13F3N2O3S

>  <MolWeight> (883)
406.3783296

>  <PCAT_CMPD_ID> (883)
WAY-236488

>  <CNC_ID> (883)
359420271

>  <transfer_container_id> (883)
PTN000000074

>  <COMPOUND_NUMBER> (883)
WAY-236488

>  <BAR_CODE_NO> (883)
3912026

>  <LOCATION_CODE> (883)
PTNCS

>  <AMOUNT_CURRENT> (883)
33.7

$$$$
WAY-236583
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2146    2.4680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4340    3.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3708    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0102    1.7825    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0629    3.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9026    1.0124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3838    3.0060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5225    2.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922    0.8543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9403    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7503    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3660    1.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    3.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390    3.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2964    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4210    4.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7900    1.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5304    3.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9282    5.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6570    4.2400    0.0000 C   0  0  0  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  4  1  0  0  0  0
  8  6  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  3  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 10  2  0  0  0  0
 17 19  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 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
  5  4  1  0  0  0  0
 17 20  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C16H15N3O3S

>  <MolWeight> (884)
329.3736

>  <PCAT_CMPD_ID> (884)
WAY-236583

>  <CNC_ID> (884)
359420272

>  <transfer_container_id> (884)
PTN000000074

>  <COMPOUND_NUMBER> (884)
WAY-236583

>  <BAR_CODE_NO> (884)
3913357

>  <LOCATION_CODE> (884)
PTNCS

>  <AMOUNT_CURRENT> (884)
33.4

$$$$
WAY-236995
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3444    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9548    0.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7686   -0.4557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1686    0.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1444    0.7202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3927    1.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0306   -0.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5962    0.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2168    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3065   -0.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5927   -0.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   -0.4867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314   -0.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5556   -0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8314    0.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659   -0.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832   -0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6935   -0.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -1.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142   -0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901    0.7961    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7073   -1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4211   -1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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> (885)
885

>  <Formula> (885)
C17H16ClN3O2

>  <MolWeight> (885)
329.78084

>  <PCAT_CMPD_ID> (885)
WAY-236995

>  <CNC_ID> (885)
359420276

>  <transfer_container_id> (885)
PTN000000074

>  <COMPOUND_NUMBER> (885)
WAY-236995

>  <BAR_CODE_NO> (885)
3911672

>  <LOCATION_CODE> (885)
PTNCS

>  <AMOUNT_CURRENT> (885)
33.3

$$$$
WAY-237007
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6692    6.7118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4471    5.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    4.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785    4.4817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    6.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8473    5.5707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891    4.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6479    5.5707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0482    5.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1798    7.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5561    4.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5561    6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9564    4.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9564    6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7568    6.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5525    2.9561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7568    4.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5283    0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0907    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3485    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  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  3  2  0  0  0  0
  8 15  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  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  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 17  1  0  0  0  0
 19  9  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 22  1  0  0  0  0
  4  3  1  0  0  0  0
 14  8  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C16H17N3O3S

>  <MolWeight> (886)
331.38948

>  <PCAT_CMPD_ID> (886)
WAY-237007

>  <CNC_ID> (886)
359420277

>  <transfer_container_id> (886)
PTN000000074

>  <COMPOUND_NUMBER> (886)
WAY-237007

>  <BAR_CODE_NO> (886)
3912101

>  <LOCATION_CODE> (886)
PTNCS

>  <AMOUNT_CURRENT> (886)
33.4

$$$$
WAY-238824
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.7867   -0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383   -1.0309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0866   -0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384    0.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867   -0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0866   -2.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7383   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867    0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7383   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1616    0.4691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133    0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4616    0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -0.6585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1134    0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4616    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7617    0.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1134    1.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7617    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4134    1.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4134    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C20H24N2O2

>  <MolWeight> (887)
324.41676

>  <PCAT_CMPD_ID> (887)
WAY-238824

>  <CNC_ID> (887)
359420285

>  <transfer_container_id> (887)
PTN000000074

>  <COMPOUND_NUMBER> (887)
WAY-238824

>  <BAR_CODE_NO> (887)
3913065

>  <LOCATION_CODE> (887)
PTNCS

>  <AMOUNT_CURRENT> (887)
33.4

$$$$
WAY-239061
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8927    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6788    2.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469    4.1465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280    3.1217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2974    4.3830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    0.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174    0.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8221    5.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    2.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    6.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0865    7.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4618    6.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6779    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  2  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  6  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 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
  3  5  1  0  0  0  0
  7  9  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C13H13N3O2

>  <MolWeight> (888)
243.26122

>  <PCAT_CMPD_ID> (888)
WAY-239061

>  <CNC_ID> (888)
359420288

>  <transfer_container_id> (888)
PTN000000074

>  <COMPOUND_NUMBER> (888)
WAY-239061

>  <BAR_CODE_NO> (888)
3913397

>  <LOCATION_CODE> (888)
PTNCS

>  <AMOUNT_CURRENT> (888)
33.7

$$$$
WAY-239450
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.1971   -0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596    0.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -0.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804   -0.1154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0971    0.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596    1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196    0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029    0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3471   -0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2279    1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071   -0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9404   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779   -0.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9404   -0.9654    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  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  2  0  0  0  0
 11  1  1  0  0  0  0
 12 17  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 10  1  0  0  0  0
 17 18  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
  6  7  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C16H19NO3

>  <MolWeight> (889)
273.32696

>  <PCAT_CMPD_ID> (889)
WAY-239450

>  <CNC_ID> (889)
359420293

>  <transfer_container_id> (889)
PTN000000074

>  <COMPOUND_NUMBER> (889)
WAY-239450

>  <BAR_CODE_NO> (889)
3911262

>  <LOCATION_CODE> (889)
PTNCS

>  <AMOUNT_CURRENT> (889)
33.3

$$$$
WAY-245459
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.1583    0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3141   -0.2591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274   -0.2591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624   -0.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8037   -0.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274    0.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964    0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831   -0.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0376   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9141    0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964    0.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274    1.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C12H14N2

>  <MolWeight> (890)
186.25296

>  <PCAT_CMPD_ID> (890)
WAY-245459

>  <CNC_ID> (890)
359420321

>  <transfer_container_id> (890)
PTN000000074

>  <COMPOUND_NUMBER> (890)
WAY-245459

>  <BAR_CODE_NO> (890)
3912580

>  <LOCATION_CODE> (890)
PTNCS

>  <AMOUNT_CURRENT> (890)
33.1

$$$$
WAY-247360
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1657    0.0692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140    1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657   -1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1278    0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0174    2.5588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515    2.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136    0.6692    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5968   -2.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757   -2.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9381    2.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2140   -0.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757    1.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5968   -3.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757   -4.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5140    1.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7002    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4550    1.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657   -4.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8998   -0.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5757    2.6278    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
  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
  6  7  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C14H12N4O2S

>  <MolWeight> (891)
300.33568

>  <PCAT_CMPD_ID> (891)
WAY-247360

>  <CNC_ID> (891)
359420323

>  <transfer_container_id> (891)
PTN000000074

>  <COMPOUND_NUMBER> (891)
WAY-247360

>  <BAR_CODE_NO> (891)
3912699

>  <LOCATION_CODE> (891)
PTNCS

>  <AMOUNT_CURRENT> (891)
33.7

$$$$
WAY-388097
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.1167   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167  -11.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417  -13.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -7.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417  -13.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -5.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167  -11.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    4.9917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   -9.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417  -15.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917  -15.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375  -15.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -15.2417    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  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7 12  2  0  0  0  0
  8  7  1  0  0  0  0
  9 17  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 16  1  0  0  0  0
 14  4  2  0  0  0  0
 15  9  2  0  0  0  0
 16 19  2  0  0  0  0
 17 11  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  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
  6  3  2  0  0  0  0
  8 13  2  0  0  0  0
M  END
>  <Mol_ID> (892)
892

>  <Formula> (892)
C15H14BrNO6

>  <MolWeight> (892)
384.17876

>  <PCAT_CMPD_ID> (892)
WAY-388097

>  <CNC_ID> (892)
359414150

>  <transfer_container_id> (892)
PTN000000073

>  <COMPOUND_NUMBER> (892)
WAY-388097

>  <BAR_CODE_NO> (892)
2550051

>  <LOCATION_CODE> (892)
PTNCS

>  <AMOUNT_CURRENT> (892)
32.1

$$$$
WAY-388100
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.7750   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625  -11.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -3.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -7.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917  -13.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -3.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2792  -11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375  -15.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167  -13.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542  -15.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  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  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  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  4  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  5  2  0  0  0  0
 17 10  1  0  0  0  0
 18 21  2  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
 18 15  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C15H13ClN2O3

>  <MolWeight> (893)
304.72832

>  <PCAT_CMPD_ID> (893)
WAY-388100

>  <CNC_ID> (893)
359414153

>  <transfer_container_id> (893)
PTN000000073

>  <COMPOUND_NUMBER> (893)
WAY-388100

>  <BAR_CODE_NO> (893)
2550054

>  <LOCATION_CODE> (893)
PTNCS

>  <AMOUNT_CURRENT> (893)
32

$$$$
WAY-388117
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.9736    4.1359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0596    7.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5877    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    5.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7622    6.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7622    8.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3767    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1611    6.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   10.1573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7475    2.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574    5.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9547    6.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0512    5.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8528    2.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247    8.9702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6754    7.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984   10.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    0.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    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  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 11  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  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  6  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  1  0  0  0  0
 18 20  2  0  0  0  0
 19 10  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
 14 10  1  0  0  0  0
 22 19  2  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C16H13ClN2O3

>  <MolWeight> (894)
316.73902

>  <PCAT_CMPD_ID> (894)
WAY-388117

>  <CNC_ID> (894)
359414170

>  <transfer_container_id> (894)
PTN000000073

>  <COMPOUND_NUMBER> (894)
WAY-388117

>  <BAR_CODE_NO> (894)
2550075

>  <LOCATION_CODE> (894)
PTNCS

>  <AMOUNT_CURRENT> (894)
32

$$$$
WAY-388123
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.2690   -3.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -3.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -2.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -3.9048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -3.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -1.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -2.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034   -0.9048    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -0.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345    0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310    1.0952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    1.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    3.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0621    4.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276    3.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    4.0952    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
  5  8  1  0  0  0  0
  7  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
 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  8  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C13H13ClN4O2S

>  <MolWeight> (895)
324.78592

>  <PCAT_CMPD_ID> (895)
WAY-388123

>  <CNC_ID> (895)
359414176

>  <transfer_container_id> (895)
PTN000000073

>  <COMPOUND_NUMBER> (895)
WAY-388123

>  <BAR_CODE_NO> (895)
2550082

>  <LOCATION_CODE> (895)
PTNCS

>  <AMOUNT_CURRENT> (895)
32.8

$$$$
WAY-388135
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.6542   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -3.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -6.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -6.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -3.8000    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  8  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  2  1  0  0  0  0
  8 11  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12 16  2  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 11  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  7  1  0  0  0  0
 21  9  1  0  0  0  0
 17 15  1  0  0  0  0
  5  2  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C17H14O4

>  <MolWeight> (896)
282.29066

>  <PCAT_CMPD_ID> (896)
WAY-388135

>  <CNC_ID> (896)
359414186

>  <transfer_container_id> (896)
PTN000000073

>  <COMPOUND_NUMBER> (896)
WAY-388135

>  <BAR_CODE_NO> (896)
2550094

>  <LOCATION_CODE> (896)
PTNCS

>  <AMOUNT_CURRENT> (896)
32.5

$$$$
WAY-388148
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.6625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -2.6750    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
   11.5042   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625  -10.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8250   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9167   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -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 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 11  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  6  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  4  2  0  0  0  0
 20  8  2  0  0  0  0
 21 14  1  0  0  0  0
 19 20  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C15H15N3O3

>  <MolWeight> (897)
285.2979

>  <PCAT_CMPD_ID> (897)
WAY-388148

>  <CNC_ID> (897)
359414199

>  <transfer_container_id> (897)
PTN000000073

>  <COMPOUND_NUMBER> (897)
WAY-388148

>  <BAR_CODE_NO> (897)
2550107

>  <LOCATION_CODE> (897)
PTNCS

>  <AMOUNT_CURRENT> (897)
32.3

$$$$
WAY-388207
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.9167   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -7.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -7.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1042   -4.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    3.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -5.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -4.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    1.6000    0.0000 C   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
    6.2125   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -9.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6625    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -5.7667    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 15  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 14  2  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  4  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  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19  5  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 22  1  0  0  0  0
 13  7  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C18H26N2O3

>  <MolWeight> (898)
318.41064

>  <PCAT_CMPD_ID> (898)
WAY-388207

>  <CNC_ID> (898)
359414253

>  <transfer_container_id> (898)
PTN000000073

>  <COMPOUND_NUMBER> (898)
WAY-388207

>  <BAR_CODE_NO> (898)
2550182

>  <LOCATION_CODE> (898)
PTNCS

>  <AMOUNT_CURRENT> (898)
33

$$$$
WAY-388216
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0568    7.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9675    3.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568    6.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3567    3.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568    8.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2567    4.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0675    2.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2697    2.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1568    6.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481    9.6293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481    4.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632    4.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9481    6.0407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3826    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0502    4.8611    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3188    8.4475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9827    1.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0934    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6741    7.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6957    9.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4323    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 12  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  2  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  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 17  2  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 14  1  0  0  0  0
 19  1  2  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 20 10  1  0  0  0  0
 14  7  1  0  0  0  0
M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C14H8Cl3NO3

>  <MolWeight> (899)
344.57722

>  <PCAT_CMPD_ID> (899)
WAY-388216

>  <CNC_ID> (899)
359414262

>  <transfer_container_id> (899)
PTN000000073

>  <COMPOUND_NUMBER> (899)
WAY-388216

>  <BAR_CODE_NO> (899)
2550123

>  <LOCATION_CODE> (899)
PTNCS

>  <AMOUNT_CURRENT> (899)
32.5

$$$$
WL-152261
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.9042    0.5641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    1.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8870    1.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1923    0.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973    2.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -1.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629   -1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111    2.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0525    0.9089    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820    1.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560   -2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9836   -2.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3199    1.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9146   -3.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440   -0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2992    1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5613   -0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613   -0.9290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4268    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5509    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6061   -2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  6  9  1  0  0  0  0
 13 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C16H15N3O2S

>  <MolWeight> (900)
313.3742

>  <PCAT_CMPD_ID> (900)
WL-152261

>  <CNC_ID> (900)
359419940

>  <transfer_container_id> (900)
PTN000000073

>  <COMPOUND_NUMBER> (900)
WL-152261

>  <BAR_CODE_NO> (900)
3909939

>  <LOCATION_CODE> (900)
PTNCS

>  <AMOUNT_CURRENT> (900)
33.6

$$$$
WL-309836
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.2103   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -0.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655    1.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    1.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C10H12O3

>  <MolWeight> (901)
180.20048

>  <PCAT_CMPD_ID> (901)
WL-309836

>  <CNC_ID> (901)
359419951

>  <transfer_container_id> (901)
PTN000000073

>  <COMPOUND_NUMBER> (901)
WL-309836

>  <BAR_CODE_NO> (901)
3910618

>  <LOCATION_CODE> (901)
PTNCS

>  <AMOUNT_CURRENT> (901)
33.6

$$$$
CL-300405
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2939    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353    1.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353    1.2852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -0.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2095    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5181    0.1231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7008   -1.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854    1.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2095   -0.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1905   -2.3631    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6957    0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4199   -1.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6647   -0.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  1  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  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C9H8N2OS

>  <MolWeight> (902)
192.23762

>  <PCAT_CMPD_ID> (902)
CL-300405

>  <CNC_ID> (902)
359419968

>  <transfer_container_id> (902)
PTN000000074

>  <COMPOUND_NUMBER> (902)
CL-300405

>  <BAR_CODE_NO> (902)
2551484

>  <LOCATION_CODE> (902)
PTNCS

>  <AMOUNT_CURRENT> (902)
32.6

$$$$
CL-31356
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.6990    0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4852    0.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921   -1.0482    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4528   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7576    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679   -1.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6666    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907   -1.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0597    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6976   -0.6482    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7286    0.1000    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
  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  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
  6  7  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C8H6N2OS2

>  <MolWeight> (903)
210.27604

>  <PCAT_CMPD_ID> (903)
CL-31356

>  <CNC_ID> (903)
359419972

>  <transfer_container_id> (903)
PTN000000074

>  <COMPOUND_NUMBER> (903)
CL-31356

>  <BAR_CODE_NO> (903)
3912097

>  <LOCATION_CODE> (903)
PTNCS

>  <AMOUNT_CURRENT> (903)
33.1

$$$$
CL-31663
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.7722   -1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7722   -0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929   -1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860   -1.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5067   -0.6764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343   -2.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067   -1.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343    0.7719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067   -0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209   -0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692    0.7512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692   -0.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554    1.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2140    1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692    2.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    2.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 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 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C16H18N2O3

>  <MolWeight> (904)
286.32572

>  <PCAT_CMPD_ID> (904)
CL-31663

>  <CNC_ID> (904)
359419974

>  <transfer_container_id> (904)
PTN000000074

>  <COMPOUND_NUMBER> (904)
CL-31663

>  <BAR_CODE_NO> (904)
3911428

>  <LOCATION_CODE> (904)
PTNCS

>  <AMOUNT_CURRENT> (904)
33.6

$$$$
CL-319989
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.6799   -0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799   -1.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110    0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213    0.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110   -2.1219    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213   -2.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5235   -0.9529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339    1.5678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1765   -0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523   -3.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477   -2.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1765   -1.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235    1.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4787    0.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9546    3.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8856    1.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3752    3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3063    2.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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  2  0  0  0  0
  6 12  2  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
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C13H10N2O2S

>  <MolWeight> (905)
258.2957

>  <PCAT_CMPD_ID> (905)
CL-319989

>  <CNC_ID> (905)
359419975

>  <transfer_container_id> (905)
PTN000000074

>  <COMPOUND_NUMBER> (905)
CL-319989

>  <BAR_CODE_NO> (905)
3911564

>  <LOCATION_CODE> (905)
PTNCS

>  <AMOUNT_CURRENT> (905)
33.4

$$$$
CL-342065
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1808    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330    2.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3808    1.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1399   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2641    1.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1187   -0.7187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1566    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2704    3.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704    3.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2641   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5739   -1.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882   -0.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359   -2.1325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2434   -2.9221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1394   -3.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3842   -3.7118    0.0000 C   0  0  0  0  0  0  0  0  0  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
 14 17  2  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
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C13H14N2O4

>  <MolWeight> (906)
262.26126

>  <PCAT_CMPD_ID> (906)
CL-342065

>  <CNC_ID> (906)
359419976

>  <transfer_container_id> (906)
PTN000000074

>  <COMPOUND_NUMBER> (906)
CL-342065

>  <BAR_CODE_NO> (906)
3913608

>  <LOCATION_CODE> (906)
PTNCS

>  <AMOUNT_CURRENT> (906)
33.4

$$$$
CL-398671
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.9992   -1.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4659   -1.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9834   -2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861   -0.0829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0049   -0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5802   -2.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4856   -2.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740    0.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558    0.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479   -2.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3563   -5.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4335   -3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389   -3.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213   -1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -5.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0878    3.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7244    3.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3721   -3.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1701   -1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8021    4.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0145   -2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382    5.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5529   -2.2429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4335   -3.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2159   -0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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  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
 15 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
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5  9  1  0  0  0  0
 13 17  2  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C24H21N3O

>  <MolWeight> (907)
367.44304

>  <PCAT_CMPD_ID> (907)
CL-398671

>  <CNC_ID> (907)
359419981

>  <transfer_container_id> (907)
PTN000000074

>  <COMPOUND_NUMBER> (907)
CL-398671

>  <BAR_CODE_NO> (907)
3912075

>  <LOCATION_CODE> (907)
PTNCS

>  <AMOUNT_CURRENT> (907)
33.4

$$$$
CL-403647
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2343   -0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446   -0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2343   -1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860    0.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140   -1.4934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446   -1.3520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0657   -0.3624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    1.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9136    0.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0657   -1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7243   -1.4934    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3761   -0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446    2.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243    0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
 18 20  2  0  0  0  0
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C15H12N2OS2

>  <MolWeight> (908)
300.39858

>  <PCAT_CMPD_ID> (908)
CL-403647

>  <CNC_ID> (908)
359419988

>  <transfer_container_id> (908)
PTN000000074

>  <COMPOUND_NUMBER> (908)
CL-403647

>  <BAR_CODE_NO> (908)
3911447

>  <LOCATION_CODE> (908)
PTNCS

>  <AMOUNT_CURRENT> (908)
33.8

$$$$
CL-405522
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.1310   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -1.3862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310   -1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    0.8655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828    1.9897    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
    1.8310    2.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5310    2.3655    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
  6 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
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (909)
909

>  <Formula> (909)
C10H10N2O2S2

>  <MolWeight> (909)
254.3286

>  <PCAT_CMPD_ID> (909)
CL-405522

>  <CNC_ID> (909)
359419991

>  <transfer_container_id> (909)
PTN000000074

>  <COMPOUND_NUMBER> (909)
CL-405522

>  <BAR_CODE_NO> (909)
3912893

>  <LOCATION_CODE> (909)
PTNCS

>  <AMOUNT_CURRENT> (909)
33.3

$$$$
CL-417716
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.2542    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.3792    0.0000 N   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
    2.7292    1.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    0.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.1500    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
  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  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11 18  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  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
  5  4  1  0  0  0  0
 17 11  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C12H13ClN2O2S

>  <MolWeight> (910)
284.76182

>  <PCAT_CMPD_ID> (910)
CL-417716

>  <CNC_ID> (910)
359420006

>  <transfer_container_id> (910)
PTN000000074

>  <COMPOUND_NUMBER> (910)
CL-417716

>  <BAR_CODE_NO> (910)
3911341

>  <LOCATION_CODE> (910)
PTNCS

>  <AMOUNT_CURRENT> (910)
33.2

$$$$
CL-420396
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.7597   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7522   -3.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2337   -1.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112   -4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211   -4.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4211    0.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1286   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8579   -0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100   -3.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136   -6.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100    0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597    0.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6477   -2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845   -0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486   -4.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136   -7.5504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    2.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7522    2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2870   -1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061    3.2262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061    4.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9325    5.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711    4.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6097    5.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9333    4.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6022    7.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2794    5.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9408    7.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2870    7.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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  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  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
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
  5  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
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C26H25N5

>  <MolWeight> (911)
407.5102

>  <PCAT_CMPD_ID> (911)
CL-420396

>  <CNC_ID> (911)
359420014

>  <transfer_container_id> (911)
PTN000000074

>  <COMPOUND_NUMBER> (911)
CL-420396

>  <BAR_CODE_NO> (911)
3912489

>  <LOCATION_CODE> (911)
PTNCS

>  <AMOUNT_CURRENT> (911)
33.3

$$$$
CL-425576
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -6.2262   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7473   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9953   -1.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9953    0.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5938    0.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6142   -2.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9896   -2.8987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5481   -1.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5407    0.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3172   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8060    0.4733    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.7525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2810   -0.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180   -1.9226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8043   -0.2514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923    1.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2349    2.2406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8361    0.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3332    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3593    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    3.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8696    1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3707    2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3172    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C19H16N4O2S

>  <MolWeight> (912)
364.42094

>  <PCAT_CMPD_ID> (912)
CL-425576

>  <CNC_ID> (912)
359420024

>  <transfer_container_id> (912)
PTN000000074

>  <COMPOUND_NUMBER> (912)
CL-425576

>  <BAR_CODE_NO> (912)
3912225

>  <LOCATION_CODE> (912)
PTNCS

>  <AMOUNT_CURRENT> (912)
33.4

$$$$
CL-426085
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.6591    0.0616    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7885    0.4189    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4969    1.3922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012   -1.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9425    1.9589    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2177   -0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990    2.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9938    1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6735   -1.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -2.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963    2.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218    0.9487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565   -1.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8809    0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6222    2.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090   -3.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -3.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    3.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7187    0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3901    0.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1684    3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5934    2.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3470   -0.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0493    1.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1150    1.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9179   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5647    2.0513    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7618    0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  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  1  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  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
  5  7  1  0  0  0  0
 11 12  1  0  0  0  0
 16 17  2  0  0  0  0
 21 24  2  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (913)
913

>  <Formula> (913)
C21H15ClN2O4

>  <MolWeight> (913)
394.8078

>  <PCAT_CMPD_ID> (913)
CL-426085

>  <CNC_ID> (913)
359420027

>  <transfer_container_id> (913)
PTN000000074

>  <COMPOUND_NUMBER> (913)
CL-426085

>  <BAR_CODE_NO> (913)
3912132

>  <LOCATION_CODE> (913)
PTNCS

>  <AMOUNT_CURRENT> (913)
33.5

$$$$
GI-518760
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0488    0.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    1.2390    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0878   -0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220    1.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    2.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911    0.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154   -1.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -1.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220    2.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911   -0.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610    1.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154   -2.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854   -0.6179    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2585   -2.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2585   -1.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  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
  5  9  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (914)
914

>  <Formula> (914)
C10H11NO3S

>  <MolWeight> (914)
225.26424

>  <PCAT_CMPD_ID> (914)
GI-518760

>  <CNC_ID> (914)
359420038

>  <transfer_container_id> (914)
PTN000000074

>  <COMPOUND_NUMBER> (914)
GI-518760

>  <BAR_CODE_NO> (914)
2552044

>  <LOCATION_CODE> (914)
PTNCS

>  <AMOUNT_CURRENT> (914)
33

$$$$
GI-558132
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.4865    0.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7141    0.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865    1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3141   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3141    1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3135   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3135    1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141   -0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141    1.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238    0.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1141    0.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    0.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -0.4857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7549    1.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -2.6064    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  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
  8 11  1  0  0  0  0
 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (915)
915

>  <Formula> (915)
C17H17NO2

>  <MolWeight> (915)
267.32238

>  <PCAT_CMPD_ID> (915)
GI-558132

>  <CNC_ID> (915)
359420043

>  <transfer_container_id> (915)
PTN000000074

>  <COMPOUND_NUMBER> (915)
GI-558132

>  <BAR_CODE_NO> (915)
3913114

>  <LOCATION_CODE> (915)
PTNCS

>  <AMOUNT_CURRENT> (915)
33.3

$$$$
GI-559787
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.4477    0.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3063    0.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4477    2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477    0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477    2.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580    2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    0.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627    2.2761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213   -1.1032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627   -1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144   -1.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2213   -3.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213   -3.8343    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
  5  9  1  0  0  0  0
  5 10  2  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
 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 11  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C13H18N2O2

>  <MolWeight> (916)
234.29422

>  <PCAT_CMPD_ID> (916)
GI-559787

>  <CNC_ID> (916)
359420045

>  <transfer_container_id> (916)
PTN000000074

>  <COMPOUND_NUMBER> (916)
GI-559787

>  <BAR_CODE_NO> (916)
3913529

>  <LOCATION_CODE> (916)
PTNCS

>  <AMOUNT_CURRENT> (916)
33.5

$$$$
GI-568042
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -2.5322    0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9212    0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258    1.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621   -0.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9212   -0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2231    1.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258    2.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553    0.8122    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7028   -1.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646   -1.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2231   -1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5251    0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332    2.7592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4188    3.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0332    1.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6730   -2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5251   -0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    2.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0007    0.8779    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4188   -3.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9212   -3.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    1.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3067    2.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2258    0.8779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191    0.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3067    1.2004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3459    3.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2258   -0.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5251    0.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5635   -1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -2.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5635   -2.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2258   -3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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  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
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 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
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 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
  5  9  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 24 26  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C24H18N4O4S2

>  <MolWeight> (917)
490.55412

>  <PCAT_CMPD_ID> (917)
GI-568042

>  <CNC_ID> (917)
359420049

>  <transfer_container_id> (917)
PTN000000074

>  <COMPOUND_NUMBER> (917)
GI-568042

>  <BAR_CODE_NO> (917)
3911509

>  <LOCATION_CODE> (917)
PTNCS

>  <AMOUNT_CURRENT> (917)
33.6

$$$$
GI-570740
csChFnd80/11182011152D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.6740   -1.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -2.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2556   -0.0988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070   -2.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -3.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715    0.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070   -3.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -4.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -4.3925    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2776    0.4822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9122   -0.5403    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7082   -5.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -3.8289    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4048    1.4061    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6959    2.7889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6598    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770    3.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6598    2.6436    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6191    0.1104    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9206    1.3828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220    4.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7082    4.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    4.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8580    5.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8580    4.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    3.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1007    5.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1007    4.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
  9 12  2  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  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
 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  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  8  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C18H17Cl3N4O3S

>  <MolWeight> (918)
475.77658

>  <PCAT_CMPD_ID> (918)
GI-570740

>  <CNC_ID> (918)
359420052

>  <transfer_container_id> (918)
PTN000000074

>  <COMPOUND_NUMBER> (918)
GI-570740

>  <BAR_CODE_NO> (918)
3913010

>  <LOCATION_CODE> (918)
PTNCS

>  <AMOUNT_CURRENT> (918)
33.3

$$$$
GI-570853
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.6454   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6546   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454   -0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3144   -2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546   -0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339   -2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3040    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6454   -3.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6546   -3.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144    1.9448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6247    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8454    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1144    2.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0856    2.3759    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  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  3  0  0  0  0
 16 18  3  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C13H12N4S

>  <MolWeight> (919)
256.32618

>  <PCAT_CMPD_ID> (919)
GI-570853

>  <CNC_ID> (919)
359420053

>  <transfer_container_id> (919)
PTN000000074

>  <COMPOUND_NUMBER> (919)
GI-570853

>  <BAR_CODE_NO> (919)
3913022

>  <LOCATION_CODE> (919)
PTNCS

>  <AMOUNT_CURRENT> (919)
33.5

$$$$
SD-17723
csChFnd80/11182011152D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.9319   -0.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3026   -0.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1009   -1.0900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3664    1.1204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405   -0.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2561   -0.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7974    1.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7819   -0.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405    1.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7526    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0198   -0.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0198   -1.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  6  7  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C8H10N2OS

>  <MolWeight> (920)
182.2428

>  <PCAT_CMPD_ID> (920)
SD-17723

>  <CNC_ID> (920)
359420058

>  <transfer_container_id> (920)
PTN000000074

>  <COMPOUND_NUMBER> (920)
SD-17723

>  <BAR_CODE_NO> (920)
2551443

>  <LOCATION_CODE> (920)
PTNCS

>  <AMOUNT_CURRENT> (920)
29

$$$$
WAY-105002
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0450    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6964    0.0929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140    0.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343    1.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343    0.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860   -0.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    0.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933   -0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    1.4136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    0.4860    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2761    0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761   -1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   -1.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3554   -0.5243    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  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  2  0  0  0  0
 12 15  1  0  0  0  0
  5  9  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (921)
921

>  <Formula> (921)
C10H10N4S

>  <MolWeight> (921)
218.2782

>  <PCAT_CMPD_ID> (921)
WAY-105002

>  <CNC_ID> (921)
359420063

>  <transfer_container_id> (921)
PTN000000074

>  <COMPOUND_NUMBER> (921)
WAY-105002

>  <BAR_CODE_NO> (921)
3911671

>  <LOCATION_CODE> (921)
PTNCS

>  <AMOUNT_CURRENT> (921)
33.6

$$$$
WAY-113276
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.7793    0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -0.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    0.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    1.2610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -1.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   -0.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -0.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3379    1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -1.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    0.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -0.5666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    1.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828    1.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586   -0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -0.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -1.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069    1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2448    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069   -0.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 16 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
 20 23  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C18H21NO4

>  <MolWeight> (922)
315.36364

>  <PCAT_CMPD_ID> (922)
WAY-113276

>  <CNC_ID> (922)
359420073

>  <transfer_container_id> (922)
PTN000000074

>  <COMPOUND_NUMBER> (922)
WAY-113276

>  <BAR_CODE_NO> (922)
3912561

>  <LOCATION_CODE> (922)
PTNCS

>  <AMOUNT_CURRENT> (922)
33.5

$$$$
WAY-248193
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.0119    0.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0149   -0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5279    1.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0529    0.1950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4869    1.0890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261    0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4989   -0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5719    0.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0559   -0.4020    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0231   -0.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5421   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0641   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -1.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0641    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5711   -0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801    0.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0991   -0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1051    0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241    0.4680    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
  7  3  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
  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
 17 14  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  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C13H12BrN3O4

>  <MolWeight> (923)
354.15608

>  <PCAT_CMPD_ID> (923)
WAY-248193

>  <CNC_ID> (923)
359420324

>  <transfer_container_id> (923)
PTN000000074

>  <COMPOUND_NUMBER> (923)
WAY-248193

>  <BAR_CODE_NO> (923)
3911634

>  <LOCATION_CODE> (923)
PTNCS

>  <AMOUNT_CURRENT> (923)
33.1

$$$$
WAY-249632
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.2453   -0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2453    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064   -0.7835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246   -0.9317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064    0.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246    0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039   -0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443    1.2372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246    1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7547   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2936   -0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -0.8248    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> (924)
924

>  <Formula> (924)
C11H12N2OS

>  <MolWeight> (924)
220.29078

>  <PCAT_CMPD_ID> (924)
WAY-249632

>  <CNC_ID> (924)
359420326

>  <transfer_container_id> (924)
PTN000000074

>  <COMPOUND_NUMBER> (924)
WAY-249632

>  <BAR_CODE_NO> (924)
3912377

>  <LOCATION_CODE> (924)
PTNCS

>  <AMOUNT_CURRENT> (924)
33.8

$$$$
WAY-307481
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7276    0.6310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4241   -0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -0.0310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7276    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    1.7310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276    2.6828    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690    1.7310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -1.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -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
  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
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 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
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7  8  2  0  0  0  0
 19 20  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C16H17F3N2O3

>  <MolWeight> (925)
342.3129896

>  <PCAT_CMPD_ID> (925)
WAY-307481

>  <CNC_ID> (925)
359420337

>  <transfer_container_id> (925)
PTN000000074

>  <COMPOUND_NUMBER> (925)
WAY-307481

>  <BAR_CODE_NO> (925)
3911270

>  <LOCATION_CODE> (925)
PTNCS

>  <AMOUNT_CURRENT> (925)
33.6

$$$$
WAY-307482
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.7373    0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200    1.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131    0.1535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993   -0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5442    0.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9993    2.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2924   -0.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959   -1.5327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2062    1.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6407    2.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -1.2120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7442    2.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4524   -0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   -0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    0.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558   -1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3627   -0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800   -2.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C15H11N3OS

>  <MolWeight> (926)
281.33234

>  <PCAT_CMPD_ID> (926)
WAY-307482

>  <CNC_ID> (926)
359420338

>  <transfer_container_id> (926)
PTN000000074

>  <COMPOUND_NUMBER> (926)
WAY-307482

>  <BAR_CODE_NO> (926)
3911273

>  <LOCATION_CODE> (926)
PTNCS

>  <AMOUNT_CURRENT> (926)
33.3

$$$$
WAY-307484
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.5241    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    0.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    1.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    1.4586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    0.2207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -1.8448    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  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
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7  9  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C10H11N3OS

>  <MolWeight> (927)
221.27884

>  <PCAT_CMPD_ID> (927)
WAY-307484

>  <CNC_ID> (927)
359420340

>  <transfer_container_id> (927)
PTN000000074

>  <COMPOUND_NUMBER> (927)
WAY-307484

>  <BAR_CODE_NO> (927)
3911276

>  <LOCATION_CODE> (927)
PTNCS

>  <AMOUNT_CURRENT> (927)
33.2

$$$$
WAY-307488
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8102   -0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   -1.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342   -1.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348   -0.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186   -0.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2915    1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5796    1.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2926    0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778   -0.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642    1.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640    0.2134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0735   -0.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5852    0.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739    1.3014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398    0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8184   -0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3702   -1.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113   -0.9991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    1.0116    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2641    0.4241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8474    1.1407    0.0000 F   0  0  0  0  0  0  0  0  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
  8  7  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 11  2  0  0  0  0
  9 10  2  0  0  0  0
 14 16  1  0  0  0  0
  8 11  1  0  0  0  0
 12 10  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
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
 19  1  1  0  0  0  0
  6  1  1  0  0  0  0
  5 20  1  0  0  0  0
  1  2  2  0  0  0  0
 20 21  1  0  0  0  0
  3  4  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C16H12F3N3O

>  <MolWeight> (928)
319.2811896

>  <PCAT_CMPD_ID> (928)
WAY-307488

>  <CNC_ID> (928)
359420344

>  <transfer_container_id> (928)
PTN000000074

>  <COMPOUND_NUMBER> (928)
WAY-307488

>  <BAR_CODE_NO> (928)
3911282

>  <LOCATION_CODE> (928)
PTNCS

>  <AMOUNT_CURRENT> (928)
33.5

$$$$
WAY-307495
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.3172   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3172    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3172   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069    1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3172   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345   -0.5586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7828    1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8345   -1.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9414   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0034    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0552   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0552    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  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  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  2  0  0  0  0
  9 12  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (929)
929

>  <Formula> (929)
C19H16N2O2

>  <MolWeight> (929)
304.34254

>  <PCAT_CMPD_ID> (929)
WAY-307495

>  <CNC_ID> (929)
359420351

>  <transfer_container_id> (929)
PTN000000074

>  <COMPOUND_NUMBER> (929)
WAY-307495

>  <BAR_CODE_NO> (929)
3911292

>  <LOCATION_CODE> (929)
PTNCS

>  <AMOUNT_CURRENT> (929)
33.4

$$$$
WAY-307504
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3446   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3933   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3933   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312   -0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8067   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312   -1.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795   -2.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8067   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1036    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933   -3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3964    1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795    3.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584    3.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  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
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  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> (930)
930

>  <Formula> (930)
C16H14N2O2

>  <MolWeight> (930)
266.29456

>  <PCAT_CMPD_ID> (930)
WAY-307504

>  <CNC_ID> (930)
359420360

>  <transfer_container_id> (930)
PTN000000074

>  <COMPOUND_NUMBER> (930)
WAY-307504

>  <BAR_CODE_NO> (930)
3911302

>  <LOCATION_CODE> (930)
PTNCS

>  <AMOUNT_CURRENT> (930)
33.4

$$$$
WAY-307555
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4724    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    0.8310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    2.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    2.5793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -0.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -2.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0069   -2.9690    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
  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
 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 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (931)
931

>  <Formula> (931)
C12H15FN2O2

>  <MolWeight> (931)
238.2581032

>  <PCAT_CMPD_ID> (931)
WAY-307555

>  <CNC_ID> (931)
359420411

>  <transfer_container_id> (931)
PTN000000074

>  <COMPOUND_NUMBER> (931)
WAY-307555

>  <BAR_CODE_NO> (931)
3911361

>  <LOCATION_CODE> (931)
PTNCS

>  <AMOUNT_CURRENT> (931)
33.8

$$$$
WAY-307589
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.6828    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207   -1.0207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7414    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7414    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -0.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9586   -2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.1103   -1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5379   -3.2000    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  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
 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  2  0  0  0  0
 11 13  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (932)
932

>  <Formula> (932)
C18H14N2O3S

>  <MolWeight> (932)
338.38036

>  <PCAT_CMPD_ID> (932)
WAY-307589

>  <CNC_ID> (932)
359420445

>  <transfer_container_id> (932)
PTN000000074

>  <COMPOUND_NUMBER> (932)
WAY-307589

>  <BAR_CODE_NO> (932)
3911399

>  <LOCATION_CODE> (932)
PTNCS

>  <AMOUNT_CURRENT> (932)
33.4

$$$$
WAY-307597
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.8379   -0.1552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3207   -1.7690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1862   -0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172    0.7793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   -2.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -1.8069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5276   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138   -2.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966    0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207    2.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0897    2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0793    3.5586    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  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
  7 10  2  0  0  0  0
  8 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
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (933)
933

>  <Formula> (933)
C8H12N4O4

>  <MolWeight> (933)
228.20528

>  <PCAT_CMPD_ID> (933)
WAY-307597

>  <CNC_ID> (933)
359420453

>  <transfer_container_id> (933)
PTN000000074

>  <COMPOUND_NUMBER> (933)
WAY-307597

>  <BAR_CODE_NO> (933)
3911411

>  <LOCATION_CODE> (933)
PTNCS

>  <AMOUNT_CURRENT> (933)
33.9

$$$$
WAY-307641
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.1690    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    1.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1276   -0.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    1.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9931   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7241   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    1.2172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448   -0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8103   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9345   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4241   -0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5517   -0.2276    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  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
 22 23  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C15H13ClN4O2S

>  <MolWeight> (934)
348.80732

>  <PCAT_CMPD_ID> (934)
WAY-307641

>  <CNC_ID> (934)
359420496

>  <transfer_container_id> (934)
PTN000000074

>  <COMPOUND_NUMBER> (934)
WAY-307641

>  <BAR_CODE_NO> (934)
3911465

>  <LOCATION_CODE> (934)
PTNCS

>  <AMOUNT_CURRENT> (934)
33.4

$$$$
WAY-307646
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.4414   -0.6690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0207    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138    1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    0.7517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172   -0.6724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    2.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -2.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -2.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -3.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138   -0.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -4.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    3.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  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  2  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
 13 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
 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
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 28 30  2  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
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 16 21  1  0  0  0  0
 25 26  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (935)
935

>  <Formula> (935)
C24H20N2O6S

>  <MolWeight> (935)
464.4904

>  <PCAT_CMPD_ID> (935)
WAY-307646

>  <CNC_ID> (935)
359420501

>  <transfer_container_id> (935)
PTN000000074

>  <COMPOUND_NUMBER> (935)
WAY-307646

>  <BAR_CODE_NO> (935)
3911473

>  <LOCATION_CODE> (935)
PTNCS

>  <AMOUNT_CURRENT> (935)
33.3

$$$$
WAY-307651
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.4000   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -2.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207   -2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.1724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    2.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6414   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828   -3.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379   -1.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379    2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    2.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    2.7655    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
  6 11  2  0  0  0  0
  7 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
  5  9  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C11H8FN3O3

>  <MolWeight> (936)
249.1979232

>  <PCAT_CMPD_ID> (936)
WAY-307651

>  <CNC_ID> (936)
359420506

>  <transfer_container_id> (936)
PTN000000074

>  <COMPOUND_NUMBER> (936)
WAY-307651

>  <BAR_CODE_NO> (936)
3911478

>  <LOCATION_CODE> (936)
PTNCS

>  <AMOUNT_CURRENT> (936)
33.8

$$$$
WAY-307655
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4552   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448   -1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -0.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4793    1.1517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0448    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345    1.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    2.3138    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  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
 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> (937)
937

>  <Formula> (937)
C16H18N2O3

>  <MolWeight> (937)
286.32572

>  <PCAT_CMPD_ID> (937)
WAY-307655

>  <CNC_ID> (937)
359420510

>  <transfer_container_id> (937)
PTN000000074

>  <COMPOUND_NUMBER> (937)
WAY-307655

>  <BAR_CODE_NO> (937)
3911482

>  <LOCATION_CODE> (937)
PTNCS

>  <AMOUNT_CURRENT> (937)
33.6

$$$$
WAY-307657
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.4379   -0.3586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4586   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103    1.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    1.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2586   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897   -1.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103    0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0586    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8207    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8276    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414   -1.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2414   -0.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4414    1.0241    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
  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
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 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
 22 23  1  0  0  0  0
 14 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C18H19NO4

>  <MolWeight> (938)
313.34776

>  <PCAT_CMPD_ID> (938)
WAY-307657

>  <CNC_ID> (938)
359420512

>  <transfer_container_id> (938)
PTN000000074

>  <COMPOUND_NUMBER> (938)
WAY-307657

>  <BAR_CODE_NO> (938)
3911485

>  <LOCATION_CODE> (938)
PTNCS

>  <AMOUNT_CURRENT> (938)
33.6

$$$$
WAY-307666
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8103   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -1.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -0.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    1.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    0.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    1.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -0.1621    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  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
 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
  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> (939)
939

>  <Formula> (939)
C13H14N2O3S

>  <MolWeight> (939)
278.32686

>  <PCAT_CMPD_ID> (939)
WAY-307666

>  <CNC_ID> (939)
359420521

>  <transfer_container_id> (939)
PTN000000074

>  <COMPOUND_NUMBER> (939)
WAY-307666

>  <BAR_CODE_NO> (939)
3911497

>  <LOCATION_CODE> (939)
PTNCS

>  <AMOUNT_CURRENT> (939)
33.4

$$$$
WAY-307669-A
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.5494   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4667   -0.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4667   -2.3689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012   -2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4529   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2712   -1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046   -3.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4529   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057    1.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7299   -0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885    2.0138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7781    2.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    3.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4885    3.6035    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
  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
 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
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C14H12BrN3OS

>  <MolWeight> (940)
350.23358

>  <PCAT_CMPD_ID> (940)
WAY-307669-A

>  <CNC_ID> (940)
359420524

>  <transfer_container_id> (940)
PTN000000074

>  <COMPOUND_NUMBER> (940)
WAY-307669-A

>  <BAR_CODE_NO> (940)
3911500

>  <LOCATION_CODE> (940)
PTNCS

>  <AMOUNT_CURRENT> (940)
33.2

$$$$
WAY-307685
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.4310    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -1.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.9690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    2.2172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552    0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (941)
941

>  <Formula> (941)
C11H10ClN3

>  <MolWeight> (941)
219.6702

>  <PCAT_CMPD_ID> (941)
WAY-307685

>  <CNC_ID> (941)
359420540

>  <transfer_container_id> (941)
PTN000000074

>  <COMPOUND_NUMBER> (941)
WAY-307685

>  <BAR_CODE_NO> (941)
3911522

>  <LOCATION_CODE> (941)
PTNCS

>  <AMOUNT_CURRENT> (941)
33.1

$$$$
WAY-307688
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0828   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -1.4138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793   -1.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -0.7138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9310   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862    1.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9207   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0310   -0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.5241    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
  6  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
 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
 17 18  1  0  0  0  0
  5  7  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (942)
942

>  <Formula> (942)
C11H10N2O4S

>  <MolWeight> (942)
266.2731

>  <PCAT_CMPD_ID> (942)
WAY-307688

>  <CNC_ID> (942)
359420543

>  <transfer_container_id> (942)
PTN000000074

>  <COMPOUND_NUMBER> (942)
WAY-307688

>  <BAR_CODE_NO> (942)
3911525

>  <LOCATION_CODE> (942)
PTNCS

>  <AMOUNT_CURRENT> (942)
33.3

$$$$
WAY-307690
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.2345   -0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0207   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -1.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6655    1.1241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    2.5586    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  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
 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
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (943)
943

>  <Formula> (943)
C10H8N4O2S

>  <MolWeight> (943)
248.26112

>  <PCAT_CMPD_ID> (943)
WAY-307690

>  <CNC_ID> (943)
359420545

>  <transfer_container_id> (943)
PTN000000074

>  <COMPOUND_NUMBER> (943)
WAY-307690

>  <BAR_CODE_NO> (943)
3911527

>  <LOCATION_CODE> (943)
PTNCS

>  <AMOUNT_CURRENT> (943)
33.5

$$$$
WAY-307691
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.4310    0.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    1.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -1.0623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172   -1.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    1.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -2.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345   -1.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310    0.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310    1.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -3.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345   -2.4795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172    3.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2897    0.9446    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
  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
 12 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
  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> (944)
944

>  <Formula> (944)
C15H15NO3

>  <MolWeight> (944)
257.2845

>  <PCAT_CMPD_ID> (944)
WAY-307691

>  <CNC_ID> (944)
359420546

>  <transfer_container_id> (944)
PTN000000074

>  <COMPOUND_NUMBER> (944)
WAY-307691

>  <BAR_CODE_NO> (944)
3911528

>  <LOCATION_CODE> (944)
PTNCS

>  <AMOUNT_CURRENT> (944)
33.7

$$$$
WAY-307698
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.3138   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345   -0.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    1.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138   -2.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828    2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    1.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 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
 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  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> (945)
945

>  <Formula> (945)
C20H23N3O

>  <MolWeight> (945)
321.41612

>  <PCAT_CMPD_ID> (945)
WAY-307698

>  <CNC_ID> (945)
359420553

>  <transfer_container_id> (945)
PTN000000074

>  <COMPOUND_NUMBER> (945)
WAY-307698

>  <BAR_CODE_NO> (945)
3911536

>  <LOCATION_CODE> (945)
PTNCS

>  <AMOUNT_CURRENT> (945)
33.7

$$$$
WAY-307712
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.1034   -1.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -1.5310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3034   -1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -2.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966   -0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -3.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -3.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -4.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448   -0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    1.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    3.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621    3.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966    4.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    5.3172    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
 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
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C18H19ClN2O4S

>  <MolWeight> (946)
394.87246

>  <PCAT_CMPD_ID> (946)
WAY-307712

>  <CNC_ID> (946)
359420567

>  <transfer_container_id> (946)
PTN000000074

>  <COMPOUND_NUMBER> (946)
WAY-307712

>  <BAR_CODE_NO> (946)
3911550

>  <LOCATION_CODE> (946)
PTNCS

>  <AMOUNT_CURRENT> (946)
33.3

$$$$
WAY-307735-A
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.1966   -0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    1.0279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448    0.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -1.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966    0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448   -0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -0.3928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586   -0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 17 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> (947)
947

>  <Formula> (947)
C18H20N2

>  <MolWeight> (947)
264.3648

>  <PCAT_CMPD_ID> (947)
WAY-307735-A

>  <CNC_ID> (947)
359420590

>  <transfer_container_id> (947)
PTN000000074

>  <COMPOUND_NUMBER> (947)
WAY-307735-A

>  <BAR_CODE_NO> (947)
3911575

>  <LOCATION_CODE> (947)
PTNCS

>  <AMOUNT_CURRENT> (947)
33.8

$$$$
WAY-307761
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.9379   -0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552    1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172    1.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621   -1.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483   -0.5966    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
  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  1  0  0  0  0
 21 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
  9 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (948)
948

>  <Formula> (948)
C22H15ClN2O2S

>  <MolWeight> (948)
406.8847

>  <PCAT_CMPD_ID> (948)
WAY-307761

>  <CNC_ID> (948)
359420616

>  <transfer_container_id> (948)
PTN000000074

>  <COMPOUND_NUMBER> (948)
WAY-307761

>  <BAR_CODE_NO> (948)
3911603

>  <LOCATION_CODE> (948)
PTNCS

>  <AMOUNT_CURRENT> (948)
33.6

$$$$
WAY-307762
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.3097   -0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339   -0.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097    0.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109   -0.3129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339   -0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1511   -0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109    0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339    0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109   -0.7922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097   -1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1511   -1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5718   -0.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339    1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5489   -1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097   -1.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5718   -0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097    1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5489    1.4078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903   -1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097    1.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9903    1.6492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7903    0.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109    1.8354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109   -1.7301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661   -1.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9903    2.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4109    1.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0489   -2.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903   -1.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 25 29  1  0  0  0  0
 25 30  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> (949)
949

>  <Formula> (949)
C21H24N4O4S

>  <MolWeight> (949)
428.50466

>  <PCAT_CMPD_ID> (949)
WAY-307762

>  <CNC_ID> (949)
359420617

>  <transfer_container_id> (949)
PTN000000074

>  <COMPOUND_NUMBER> (949)
WAY-307762

>  <BAR_CODE_NO> (949)
3911604

>  <LOCATION_CODE> (949)
PTNCS

>  <AMOUNT_CURRENT> (949)
33.2

$$$$
WAY-307768
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.5379   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621   -0.9793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172   -1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897   -0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -0.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    0.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8379   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    0.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    3.3552    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
  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
 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  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
 26 27  1  0  0  0  0
  9 10  1  0  0  0  0
 17 19  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C19H21FN2O4S

>  <MolWeight> (950)
392.4444432

>  <PCAT_CMPD_ID> (950)
WAY-307768

>  <CNC_ID> (950)
359420623

>  <transfer_container_id> (950)
PTN000000074

>  <COMPOUND_NUMBER> (950)
WAY-307768

>  <BAR_CODE_NO> (950)
3911610

>  <LOCATION_CODE> (950)
PTNCS

>  <AMOUNT_CURRENT> (950)
33.9

$$$$
WAY-307770
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.9552   -0.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    0.2931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9862   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966   -0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -0.6966    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  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
 10 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
 15 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
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 14 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (951)
951

>  <Formula> (951)
C19H18N2O3

>  <MolWeight> (951)
322.35782

>  <PCAT_CMPD_ID> (951)
WAY-307770

>  <CNC_ID> (951)
359420625

>  <transfer_container_id> (951)
PTN000000074

>  <COMPOUND_NUMBER> (951)
WAY-307770

>  <BAR_CODE_NO> (951)
3911612

>  <LOCATION_CODE> (951)
PTNCS

>  <AMOUNT_CURRENT> (951)
33.6

$$$$
WAY-307772
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9103    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345   -0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   -0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    1.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345   -1.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5276   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.7172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0655   -0.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3966    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -0.5345    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
  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
  9 14  1  0  0  0  0
 10 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
 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> (952)
952

>  <Formula> (952)
C16H20N4O2

>  <MolWeight> (952)
300.3556

>  <PCAT_CMPD_ID> (952)
WAY-307772

>  <CNC_ID> (952)
359420627

>  <transfer_container_id> (952)
PTN000000074

>  <COMPOUND_NUMBER> (952)
WAY-307772

>  <BAR_CODE_NO> (952)
3911614

>  <LOCATION_CODE> (952)
PTNCS

>  <AMOUNT_CURRENT> (952)
33.1

$$$$
WAY-307783
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.9862   -0.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.2517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0207   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517    0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793   -0.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    1.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -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  1  0  0  0  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
  7 13  1  0  0  0  0
  8 14  2  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
 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
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 14 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (953)
953

>  <Formula> (953)
C19H18N2O3

>  <MolWeight> (953)
322.35782

>  <PCAT_CMPD_ID> (953)
WAY-307783

>  <CNC_ID> (953)
359420638

>  <transfer_container_id> (953)
PTN000000074

>  <COMPOUND_NUMBER> (953)
WAY-307783

>  <BAR_CODE_NO> (953)
3911626

>  <LOCATION_CODE> (953)
PTNCS

>  <AMOUNT_CURRENT> (953)
33.8

$$$$
WAY-307789
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.2034   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.9793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5241    0.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    1.6000    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  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
 13 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
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C17H24N2O

>  <MolWeight> (954)
272.38526

>  <PCAT_CMPD_ID> (954)
WAY-307789

>  <CNC_ID> (954)
359420644

>  <transfer_container_id> (954)
PTN000000074

>  <COMPOUND_NUMBER> (954)
WAY-307789

>  <BAR_CODE_NO> (954)
3911632

>  <LOCATION_CODE> (954)
PTNCS

>  <AMOUNT_CURRENT> (954)
33.2

$$$$
WAY-307791
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.8310   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -2.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -0.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    1.4552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    0.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103    1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241    2.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    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  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  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
 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
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  5  8  1  0  0  0  0
 11 14  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C19H15N3O2

>  <MolWeight> (955)
317.3413

>  <PCAT_CMPD_ID> (955)
WAY-307791

>  <CNC_ID> (955)
359420646

>  <transfer_container_id> (955)
PTN000000074

>  <COMPOUND_NUMBER> (955)
WAY-307791

>  <BAR_CODE_NO> (955)
3911635

>  <LOCATION_CODE> (955)
PTNCS

>  <AMOUNT_CURRENT> (955)
33.3

$$$$
WAY-307796
csChFnd80/11182011152D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.1894    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5324    0.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5324   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8464   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8464    0.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246    0.5007    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816    0.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2316    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7956    0.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2316   -0.3063    0.0000 O   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  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  2  6  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
M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C8H8O2S

>  <MolWeight> (956)
168.21292

>  <PCAT_CMPD_ID> (956)
WAY-307796

>  <CNC_ID> (956)
359420651

>  <transfer_container_id> (956)
PTN000000074

>  <COMPOUND_NUMBER> (956)
WAY-307796

>  <BAR_CODE_NO> (956)
3911642

>  <LOCATION_CODE> (956)
PTNCS

>  <AMOUNT_CURRENT> (956)
33.1

$$$$
WAY-307802
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.2276   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -0.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -1.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -1.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -2.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    1.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    2.0000    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
  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
 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
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C13H13N5O

>  <MolWeight> (957)
255.27522

>  <PCAT_CMPD_ID> (957)
WAY-307802

>  <CNC_ID> (957)
359420657

>  <transfer_container_id> (957)
PTN000000074

>  <COMPOUND_NUMBER> (957)
WAY-307802

>  <BAR_CODE_NO> (957)
3911650

>  <LOCATION_CODE> (957)
PTNCS

>  <AMOUNT_CURRENT> (957)
33.9

$$$$
WAY-307816
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.5762   -0.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0762   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8969    0.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451    1.2343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141    2.0964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9244   -2.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0244    1.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031    2.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -3.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2244   -2.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342    2.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658   -3.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1342    1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031    3.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859    0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4652    1.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3549   -0.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2445    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135   -0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4928   -1.8036    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  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  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
  6  9  1  0  0  0  0
 12 14  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (958)
958

>  <Formula> (958)
C15H11BrN4OS

>  <MolWeight> (958)
375.24304

>  <PCAT_CMPD_ID> (958)
WAY-307816

>  <CNC_ID> (958)
359420671

>  <transfer_container_id> (958)
PTN000000074

>  <COMPOUND_NUMBER> (958)
WAY-307816

>  <BAR_CODE_NO> (958)
3911670

>  <LOCATION_CODE> (958)
PTNCS

>  <AMOUNT_CURRENT> (958)
33.7

$$$$
WAY-307836-A
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.3620    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6204    1.0180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4796    0.2472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -0.2653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0380    1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4495    0.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6787    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9912   -1.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    1.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620   -2.3153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2704   -1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2287   -3.9653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380    0.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380    2.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880    1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0120    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4787    0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7088    2.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9704   -2.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4588   -2.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4796   -3.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9495   -3.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8204    1.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620    0.6264    0.0000 C   0  0  0  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  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  9  1  0  0  0  0
 13 24  1  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  7  1  0  0  0  0
 20  8  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 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 19  2  0  0  0  0
 27 20  2  0  0  0  0
  7  8  2  0  0  0  0
  5  6  2  0  0  0  0
 27 26  1  0  0  0  0
 16 18  2  0  0  0  0
 13 25  1  0  0  0  0
M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C21H22N4O2

>  <MolWeight> (959)
362.42498

>  <PCAT_CMPD_ID> (959)
WAY-307836-A

>  <CNC_ID> (959)
359420691

>  <transfer_container_id> (959)
PTN000000074

>  <COMPOUND_NUMBER> (959)
WAY-307836-A

>  <BAR_CODE_NO> (959)
3911693

>  <LOCATION_CODE> (959)
PTNCS

>  <AMOUNT_CURRENT> (959)
33.4

$$$$
WAY-307850
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.5459   -0.4488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493   -1.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4127    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045   -2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4093   -2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4127    1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748   -0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045    1.2099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045   -3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -1.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4093   -3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748    1.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5459    1.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493   -3.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   -2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748    2.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3265    1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5459    2.8685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3265    3.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    1.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817    2.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  7 15  1  0  0  0  0
 11 16  2  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
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C19H18N2O2

>  <MolWeight> (960)
306.35842

>  <PCAT_CMPD_ID> (960)
WAY-307850

>  <CNC_ID> (960)
359420705

>  <transfer_container_id> (960)
PTN000000074

>  <COMPOUND_NUMBER> (960)
WAY-307850

>  <BAR_CODE_NO> (960)
3911712

>  <LOCATION_CODE> (960)
PTNCS

>  <AMOUNT_CURRENT> (960)
33.5

$$$$
WAY-307852
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.7878    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878   -0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570    0.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085    1.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570   -0.9580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085   -1.1994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363    0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8533    0.6385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085    2.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8533   -0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085   -2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2294    0.0075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9051    1.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9051   -1.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915   -1.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8605    1.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984   -1.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0674    0.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6294   -0.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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
  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> (961)
961

>  <Formula> (961)
C12H17N5O2

>  <MolWeight> (961)
263.29568

>  <PCAT_CMPD_ID> (961)
WAY-307852

>  <CNC_ID> (961)
359420707

>  <transfer_container_id> (961)
PTN000000074

>  <COMPOUND_NUMBER> (961)
WAY-307852

>  <BAR_CODE_NO> (961)
3911716

>  <LOCATION_CODE> (961)
PTNCS

>  <AMOUNT_CURRENT> (961)
33.1

$$$$
WAY-307854
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4448   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -0.1379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9828   -0.7379    0.0000 N   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
   -0.4448    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552    0.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552    1.2621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5552   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3552   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -0.1586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    2.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    2.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345   -2.9241    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
  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
 11 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
 14 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  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  2  0  0  0  0
M  END
>  <Mol_ID> (962)
962

>  <Formula> (962)
C19H16Cl2N2O2

>  <MolWeight> (962)
375.24854

>  <PCAT_CMPD_ID> (962)
WAY-307854

>  <CNC_ID> (962)
359420709

>  <transfer_container_id> (962)
PTN000000074

>  <COMPOUND_NUMBER> (962)
WAY-307854

>  <BAR_CODE_NO> (962)
3911718

>  <LOCATION_CODE> (962)
PTNCS

>  <AMOUNT_CURRENT> (962)
33.1

$$$$
WAY-307897
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5310    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    1.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -2.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552   -2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0276   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    3.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    3.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0276   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    4.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966   -3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759    5.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310   -2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -0.1483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621   -4.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310   -3.5172    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  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
 15 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
 19 23  1  0  0  0  0
 21 24  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> (963)
963

>  <Formula> (963)
C19H19FN4

>  <MolWeight> (963)
322.3793632

>  <PCAT_CMPD_ID> (963)
WAY-307897

>  <CNC_ID> (963)
359420752

>  <transfer_container_id> (963)
PTN000000074

>  <COMPOUND_NUMBER> (963)
WAY-307897

>  <BAR_CODE_NO> (963)
3911767

>  <LOCATION_CODE> (963)
PTNCS

>  <AMOUNT_CURRENT> (963)
33.6

$$$$
WAY-307898
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.5069   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -0.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    1.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069    1.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8862    1.7931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    2.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    2.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414   -0.8690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    1.7931    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  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
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 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
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (964)
964

>  <Formula> (964)
C14H17F2N5

>  <MolWeight> (964)
293.3150864

>  <PCAT_CMPD_ID> (964)
WAY-307898

>  <CNC_ID> (964)
359420753

>  <transfer_container_id> (964)
PTN000000074

>  <COMPOUND_NUMBER> (964)
WAY-307898

>  <BAR_CODE_NO> (964)
3911768

>  <LOCATION_CODE> (964)
PTNCS

>  <AMOUNT_CURRENT> (964)
33.5

$$$$
WAY-307900
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.9034   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862   -0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138   -0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -3.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4241    1.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    2.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000   -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  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  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
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (965)
965

>  <Formula> (965)
C15H21N5

>  <MolWeight> (965)
271.36074

>  <PCAT_CMPD_ID> (965)
WAY-307900

>  <CNC_ID> (965)
359420755

>  <transfer_container_id> (965)
PTN000000074

>  <COMPOUND_NUMBER> (965)
WAY-307900

>  <BAR_CODE_NO> (965)
3911770

>  <LOCATION_CODE> (965)
PTNCS

>  <AMOUNT_CURRENT> (965)
33.6

$$$$
WAY-307901-A
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.4680   -0.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1260    0.2378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1260   -0.7432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470    0.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770   -0.2362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    0.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1040    1.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240   -1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170    0.4898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630    0.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630   -0.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760    0.0518    0.0000 C   0  0  0  0  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  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 12 15  2  0  0  0  0
  5  4  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (966)
966

>  <Formula> (966)
C10H12N4O

>  <MolWeight> (966)
204.22848

>  <PCAT_CMPD_ID> (966)
WAY-307901-A

>  <CNC_ID> (966)
359420756

>  <transfer_container_id> (966)
PTN000000074

>  <COMPOUND_NUMBER> (966)
WAY-307901-A

>  <BAR_CODE_NO> (966)
3911771

>  <LOCATION_CODE> (966)
PTNCS

>  <AMOUNT_CURRENT> (966)
33.7

$$$$
WAY-307903
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0343   -0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0481    0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619   -0.8515    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136   -1.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    0.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8584    0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3174   -0.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6343   -0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6343    0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2554   -0.1515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4239   -1.0653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    0.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2377   -1.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8860   -0.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9481   -1.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6312    0.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    1.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0933    1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1036   -0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0002    1.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0002   -0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4519    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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  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
  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> (967)
967

>  <Formula> (967)
C15H18N2O3S2

>  <MolWeight> (967)
338.44502

>  <PCAT_CMPD_ID> (967)
WAY-307903

>  <CNC_ID> (967)
359420758

>  <transfer_container_id> (967)
PTN000000074

>  <COMPOUND_NUMBER> (967)
WAY-307903

>  <BAR_CODE_NO> (967)
3911773

>  <LOCATION_CODE> (967)
PTNCS

>  <AMOUNT_CURRENT> (967)
33.9

$$$$
WAY-307905
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.2483   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690   -0.3138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -0.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690    0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0690    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793   -1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138    0.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138   -0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2138    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1310    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655    0.9379    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  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
  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> (968)
968

>  <Formula> (968)
C17H18N2O3S

>  <MolWeight> (968)
330.40142

>  <PCAT_CMPD_ID> (968)
WAY-307905

>  <CNC_ID> (968)
359420760

>  <transfer_container_id> (968)
PTN000000074

>  <COMPOUND_NUMBER> (968)
WAY-307905

>  <BAR_CODE_NO> (968)
3911776

>  <LOCATION_CODE> (968)
PTNCS

>  <AMOUNT_CURRENT> (968)
33.2

$$$$
WAY-307909
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.3185    0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736    0.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9771   -0.8404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    0.6148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391   -0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4677   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081    1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081   -1.0576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298    0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9736    0.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9805   -0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    0.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7091   -0.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (969)
969

>  <Formula> (969)
C13H11N3O

>  <MolWeight> (969)
225.24594

>  <PCAT_CMPD_ID> (969)
WAY-307909

>  <CNC_ID> (969)
359420764

>  <transfer_container_id> (969)
PTN000000074

>  <COMPOUND_NUMBER> (969)
WAY-307909

>  <BAR_CODE_NO> (969)
3911782

>  <LOCATION_CODE> (969)
PTNCS

>  <AMOUNT_CURRENT> (969)
33.8

$$$$
WAY-307911
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.1345   -0.1138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3276   -0.5931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7724   -0.2759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0448    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -1.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    0.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069    0.0724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -1.1931    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724   -0.7138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -2.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -1.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345    1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931    0.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069    2.4207    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  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  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  2  0  0  0  0
 13 21  1  0  0  0  0
 14 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
 20 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
 27 30  1  0  0  0  0
  7 14  1  0  0  0  0
 21 25  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (970)
970

>  <Formula> (970)
C19H16ClF3N2O5

>  <MolWeight> (970)
444.7889496

>  <PCAT_CMPD_ID> (970)
WAY-307911

>  <CNC_ID> (970)
359420766

>  <transfer_container_id> (970)
PTN000000074

>  <COMPOUND_NUMBER> (970)
WAY-307911

>  <BAR_CODE_NO> (970)
3911785

>  <LOCATION_CODE> (970)
PTNCS

>  <AMOUNT_CURRENT> (970)
33.4

$$$$
WAY-307927
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.0862    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -0.4276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    1.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793    1.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -0.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -1.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586   -1.0276    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  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
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 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 10  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (971)
971

>  <Formula> (971)
C19H15NO4

>  <MolWeight> (971)
321.3267

>  <PCAT_CMPD_ID> (971)
WAY-307927

>  <CNC_ID> (971)
359420782

>  <transfer_container_id> (971)
PTN000000074

>  <COMPOUND_NUMBER> (971)
WAY-307927

>  <BAR_CODE_NO> (971)
3911803

>  <LOCATION_CODE> (971)
PTNCS

>  <AMOUNT_CURRENT> (971)
33.4

$$$$
WAY-307930
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.9931    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    1.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    2.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -3.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207   -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
  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  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
 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
 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
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (972)
972

>  <Formula> (972)
C22H24N4O3

>  <MolWeight> (972)
392.45096

>  <PCAT_CMPD_ID> (972)
WAY-307930

>  <CNC_ID> (972)
359420785

>  <transfer_container_id> (972)
PTN000000074

>  <COMPOUND_NUMBER> (972)
WAY-307930

>  <BAR_CODE_NO> (972)
3911806

>  <LOCATION_CODE> (972)
PTNCS

>  <AMOUNT_CURRENT> (972)
33.6

$$$$
WAY-307935
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.7414    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897    0.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310   -0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -0.4621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -1.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    2.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4897   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345   -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  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  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
 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
 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 11  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (973)
973

>  <Formula> (973)
C21H22N4O2

>  <MolWeight> (973)
362.42498

>  <PCAT_CMPD_ID> (973)
WAY-307935

>  <CNC_ID> (973)
359420790

>  <transfer_container_id> (973)
PTN000000074

>  <COMPOUND_NUMBER> (973)
WAY-307935

>  <BAR_CODE_NO> (973)
3911811

>  <LOCATION_CODE> (973)
PTNCS

>  <AMOUNT_CURRENT> (973)
33.9

$$$$
WAY-307941
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1621    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -1.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034    0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    0.0966    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
  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  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  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (974)
974

>  <Formula> (974)
C17H14BrN3O2

>  <MolWeight> (974)
372.21596

>  <PCAT_CMPD_ID> (974)
WAY-307941

>  <CNC_ID> (974)
359420796

>  <transfer_container_id> (974)
PTN000000074

>  <COMPOUND_NUMBER> (974)
WAY-307941

>  <BAR_CODE_NO> (974)
3911817

>  <LOCATION_CODE> (974)
PTNCS

>  <AMOUNT_CURRENT> (974)
33.1

$$$$
WAY-307948
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4241    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    0.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    0.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -0.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172   -0.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310   -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  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  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
  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> (975)
975

>  <Formula> (975)
C17H15N3O3

>  <MolWeight> (975)
309.3193

>  <PCAT_CMPD_ID> (975)
WAY-307948

>  <CNC_ID> (975)
359420803

>  <transfer_container_id> (975)
PTN000000074

>  <COMPOUND_NUMBER> (975)
WAY-307948

>  <BAR_CODE_NO> (975)
3911824

>  <LOCATION_CODE> (975)
PTNCS

>  <AMOUNT_CURRENT> (975)
33.3

$$$$
WAY-307949
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1448    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310    1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -0.6379    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  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
 17 20  1  0  0  0  0
 18 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
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (976)
976

>  <Formula> (976)
C17H15N3O2

>  <MolWeight> (976)
293.3199

>  <PCAT_CMPD_ID> (976)
WAY-307949

>  <CNC_ID> (976)
359420804

>  <transfer_container_id> (976)
PTN000000074

>  <COMPOUND_NUMBER> (976)
WAY-307949

>  <BAR_CODE_NO> (976)
3911825

>  <LOCATION_CODE> (976)
PTNCS

>  <AMOUNT_CURRENT> (976)
33.4

$$$$
WAY-307951
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.4484   -0.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4484   -0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0173   -1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863   -1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863   -0.0584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0173   -0.0584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0173   -1.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863   -1.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0173    0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137   -1.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484   -1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484   -0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137    0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760   -0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137    1.1933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516    0.4347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620    1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620    1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2827    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240    1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240    1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    2.1830    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  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  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  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  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 11  2  0  0  0  0
 14 18  1  0  0  0  0
 19 20  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (977)
977

>  <Formula> (977)
C22H16FN3O2S

>  <MolWeight> (977)
405.4447432

>  <PCAT_CMPD_ID> (977)
WAY-307951

>  <CNC_ID> (977)
359420806

>  <transfer_container_id> (977)
PTN000000074

>  <COMPOUND_NUMBER> (977)
WAY-307951

>  <BAR_CODE_NO> (977)
3911827

>  <LOCATION_CODE> (977)
PTNCS

>  <AMOUNT_CURRENT> (977)
33.5

$$$$
WAY-307959
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.9138    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    0.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -0.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138    2.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103   -1.4345    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
    1.8862   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -1.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -1.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -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
  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
  7 14  2  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
 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
 21 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
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 17 20  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (978)
978

>  <Formula> (978)
C23H20N4O2

>  <MolWeight> (978)
384.4305

>  <PCAT_CMPD_ID> (978)
WAY-307959

>  <CNC_ID> (978)
359420814

>  <transfer_container_id> (978)
PTN000000074

>  <COMPOUND_NUMBER> (978)
WAY-307959

>  <BAR_CODE_NO> (978)
3911835

>  <LOCATION_CODE> (978)
PTNCS

>  <AMOUNT_CURRENT> (978)
33.6

$$$$
WAY-307960
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.8172    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.1862    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
   -0.4172    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    0.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -2.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -1.4069    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
  7 14  2  0  0  0  0
 10 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
 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
 27 29  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 17 20  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (979)
979

>  <Formula> (979)
C23H20N4O2

>  <MolWeight> (979)
384.4305

>  <PCAT_CMPD_ID> (979)
WAY-307960

>  <CNC_ID> (979)
359420815

>  <transfer_container_id> (979)
PTN000000074

>  <COMPOUND_NUMBER> (979)
WAY-307960

>  <BAR_CODE_NO> (979)
3911836

>  <LOCATION_CODE> (979)
PTNCS

>  <AMOUNT_CURRENT> (979)
33.1

$$$$
WAY-307977
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.7897   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2276   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -1.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0793   -1.4276    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
    0.8034   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    1.7759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9448   -1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6586   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    2.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    1.5586    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.6586   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448    1.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -0.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  8 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
 13 19  1  0  0  0  0
 14 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
  7  9  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (980)
980

>  <Formula> (980)
C19H20N2O4

>  <MolWeight> (980)
340.3731

>  <PCAT_CMPD_ID> (980)
WAY-307977

>  <CNC_ID> (980)
359420831

>  <transfer_container_id> (980)
PTN000000074

>  <COMPOUND_NUMBER> (980)
WAY-307977

>  <BAR_CODE_NO> (980)
3911855

>  <LOCATION_CODE> (980)
PTNCS

>  <AMOUNT_CURRENT> (980)
33.1

$$$$
WAY-307986-A
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -3.7722   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7722    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6895   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8481   -1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6895    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8481    1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8964   -0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6136    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8481    2.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5416   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209   -1.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2209   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2209    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3795   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3795    0.6759    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  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
 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
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (981)
981

>  <Formula> (981)
C16H20N2O2

>  <MolWeight> (981)
272.3422

>  <PCAT_CMPD_ID> (981)
WAY-307986-A

>  <CNC_ID> (981)
359420840

>  <transfer_container_id> (981)
PTN000000074

>  <COMPOUND_NUMBER> (981)
WAY-307986-A

>  <BAR_CODE_NO> (981)
3911866

>  <LOCATION_CODE> (981)
PTNCS

>  <AMOUNT_CURRENT> (981)
33.2

$$$$
WAY-307988
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.7103    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103   -0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103    0.9897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4414    0.9414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.0034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -0.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    1.0966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103    0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2862   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  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  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
  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (982)
982

>  <Formula> (982)
C17H12N2OS3

>  <MolWeight> (982)
356.48498

>  <PCAT_CMPD_ID> (982)
WAY-307988

>  <CNC_ID> (982)
359420842

>  <transfer_container_id> (982)
PTN000000074

>  <COMPOUND_NUMBER> (982)
WAY-307988

>  <BAR_CODE_NO> (982)
3911868

>  <LOCATION_CODE> (982)
PTNCS

>  <AMOUNT_CURRENT> (982)
33

$$$$
WAY-307993
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7470   -1.0075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9970   -0.9283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0512   -0.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8470   -0.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4970    0.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970    0.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8470    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0530    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530    1.3050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7530    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    0.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220   -1.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405    0.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1363    2.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2405    1.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655    2.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030    0.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8720   -1.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7470   -2.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220   -2.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2470   -2.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8720   -2.9450    0.0000 C   0  0  0  0  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  4  1  0  0  0  0
  7  6  2  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 14  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15  1  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 17  1  0  0  0  0
 20  9  2  0  0  0  0
 21 15  1  0  0  0  0
 22 15  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
 24 25  1  0  0  0  0
  7 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (983)
983

>  <Formula> (983)
C19H14N4O2

>  <MolWeight> (983)
330.34006

>  <PCAT_CMPD_ID> (983)
WAY-307993

>  <CNC_ID> (983)
359420847

>  <transfer_container_id> (983)
PTN000000074

>  <COMPOUND_NUMBER> (983)
WAY-307993

>  <BAR_CODE_NO> (983)
3911873

>  <LOCATION_CODE> (983)
PTNCS

>  <AMOUNT_CURRENT> (983)
33.7

$$$$
WAY-307994
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.6414    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    0.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724    1.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    0.6483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -0.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276    0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -0.4759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -0.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -0.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345   -3.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  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  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
 17 20  2  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
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  2  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 25 28  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (984)
984

>  <Formula> (984)
C22H18N4O4S

>  <MolWeight> (984)
434.46772

>  <PCAT_CMPD_ID> (984)
WAY-307994

>  <CNC_ID> (984)
359420848

>  <transfer_container_id> (984)
PTN000000074

>  <COMPOUND_NUMBER> (984)
WAY-307994

>  <BAR_CODE_NO> (984)
3911874

>  <LOCATION_CODE> (984)
PTNCS

>  <AMOUNT_CURRENT> (984)
33.1

$$$$
WAY-308006
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.6793    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    1.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    2.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897   -1.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828   -2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -0.7586    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  2  0  0  0  0
  7 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
 17 19  2  0  0  0  0
  6  7  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (985)
985

>  <Formula> (985)
C13H13N3O3

>  <MolWeight> (985)
259.26062

>  <PCAT_CMPD_ID> (985)
WAY-308006

>  <CNC_ID> (985)
359420860

>  <transfer_container_id> (985)
PTN000000074

>  <COMPOUND_NUMBER> (985)
WAY-308006

>  <BAR_CODE_NO> (985)
3911887

>  <LOCATION_CODE> (985)
PTNCS

>  <AMOUNT_CURRENT> (985)
33.5

$$$$
WAY-308030
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.5511    0.6072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822    1.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822   -0.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4972    0.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615    2.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    0.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615   -1.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0282   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9822    1.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304    3.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9925   -0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7408   -1.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696   -0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304    2.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7822   -1.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6075   -1.2307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7972    0.4589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385   -1.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972   -2.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489   -0.0031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4696   -1.7307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1489   -2.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 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
  5  7  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (986)
986

>  <Formula> (986)
C18H18N4S

>  <MolWeight> (986)
322.42732

>  <PCAT_CMPD_ID> (986)
WAY-308030

>  <CNC_ID> (986)
359420884

>  <transfer_container_id> (986)
PTN000000074

>  <COMPOUND_NUMBER> (986)
WAY-308030

>  <BAR_CODE_NO> (986)
3911917

>  <LOCATION_CODE> (986)
PTNCS

>  <AMOUNT_CURRENT> (986)
33.4

$$$$
WAY-308048
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0067   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830    1.2586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067   -1.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174   -0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140    0.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1101   -0.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929    0.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101   -0.0414    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  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  1  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
  7 11  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (987)
987

>  <Formula> (987)
C14H15NO4S

>  <MolWeight> (987)
293.3382

>  <PCAT_CMPD_ID> (987)
WAY-308048

>  <CNC_ID> (987)
359420902

>  <transfer_container_id> (987)
PTN000000074

>  <COMPOUND_NUMBER> (987)
WAY-308048

>  <BAR_CODE_NO> (987)
3911937

>  <LOCATION_CODE> (987)
PTNCS

>  <AMOUNT_CURRENT> (987)
33.2

$$$$
WAY-308073
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.1345    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9241    0.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9241    1.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4241    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    1.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0276    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4621    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1759   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4621    1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
 27 30  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
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (988)
988

>  <Formula> (988)
C24H28N2O4

>  <MolWeight> (988)
408.49012

>  <PCAT_CMPD_ID> (988)
WAY-308073

>  <CNC_ID> (988)
359420927

>  <transfer_container_id> (988)
PTN000000074

>  <COMPOUND_NUMBER> (988)
WAY-308073

>  <BAR_CODE_NO> (988)
3911965

>  <LOCATION_CODE> (988)
PTNCS

>  <AMOUNT_CURRENT> (988)
33.2

$$$$
WAY-308074
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0552    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    1.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    2.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    0.1069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    3.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    3.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -1.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414   -3.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690   -2.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -3.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724   -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  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
  9 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
 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  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
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 12 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C21H20N2O4S

>  <MolWeight> (989)
396.4595

>  <PCAT_CMPD_ID> (989)
WAY-308074

>  <CNC_ID> (989)
359420928

>  <transfer_container_id> (989)
PTN000000074

>  <COMPOUND_NUMBER> (989)
WAY-308074

>  <BAR_CODE_NO> (989)
3911966

>  <LOCATION_CODE> (989)
PTNCS

>  <AMOUNT_CURRENT> (989)
33.7

$$$$
WAY-308079
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.2931   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552   -0.8690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793   -2.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586    0.9448    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
   -5.1552   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069   -0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1586    1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5793    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5828    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  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
 14 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
 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
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 11  2  0  0  0  0
 13 15  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C25H36N2O2

>  <MolWeight> (990)
396.56554

>  <PCAT_CMPD_ID> (990)
WAY-308079

>  <CNC_ID> (990)
359420933

>  <transfer_container_id> (990)
PTN000000074

>  <COMPOUND_NUMBER> (990)
WAY-308079

>  <BAR_CODE_NO> (990)
3911971

>  <LOCATION_CODE> (990)
PTNCS

>  <AMOUNT_CURRENT> (990)
33.4

$$$$
WAY-308110
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.7690   -0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7690    0.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483   -0.9759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    2.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897   -2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690   -0.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6690   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690    2.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6690    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690   -2.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517   -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  1  0  0  0  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
  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
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 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
 25 27  1  0  0  0  0
  9 12  2  0  0  0  0
 15 20  2  0  0  0  0
 18 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (991)
991

>  <Formula> (991)
C22H20N2O3

>  <MolWeight> (991)
360.4058

>  <PCAT_CMPD_ID> (991)
WAY-308110

>  <CNC_ID> (991)
359420964

>  <transfer_container_id> (991)
PTN000000074

>  <COMPOUND_NUMBER> (991)
WAY-308110

>  <BAR_CODE_NO> (991)
3912010

>  <LOCATION_CODE> (991)
PTNCS

>  <AMOUNT_CURRENT> (991)
33.4

$$$$
WAY-308113-A
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.0103    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2931    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -0.1103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9310    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207   -0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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
 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  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (992)
992

>  <Formula> (992)
C17H27NO2

>  <MolWeight> (992)
277.40178

>  <PCAT_CMPD_ID> (992)
WAY-308113-A

>  <CNC_ID> (992)
359420967

>  <transfer_container_id> (992)
PTN000000074

>  <COMPOUND_NUMBER> (992)
WAY-308113-A

>  <BAR_CODE_NO> (992)
3912013

>  <LOCATION_CODE> (992)
PTNCS

>  <AMOUNT_CURRENT> (992)
33.8

$$$$
WAY-308116
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.9775   -0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7810   -0.7008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292    0.8372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -0.5801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6051   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430    0.8372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777   -0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4430   -0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570   -0.5801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    0.9372    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0017    0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3499   -1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810   -1.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5639   -0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742   -0.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397    0.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    0.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2777    1.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
  8 12  1  0  0  0  0
  8 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
 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> (993)
993

>  <Formula> (993)
C13H16N4S2

>  <MolWeight> (993)
292.42294

>  <PCAT_CMPD_ID> (993)
WAY-308116

>  <CNC_ID> (993)
359420970

>  <transfer_container_id> (993)
PTN000000074

>  <COMPOUND_NUMBER> (993)
WAY-308116

>  <BAR_CODE_NO> (993)
3912019

>  <LOCATION_CODE> (993)
PTNCS

>  <AMOUNT_CURRENT> (993)
33.5

$$$$
WAY-308125
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.7966   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621   -0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345   -2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0655   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345   -0.1552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414    0.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034   -1.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.7103    0.0000 N   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
   -2.4931    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    1.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690    2.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8207    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034    2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0138    0.3621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5690    1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  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
 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
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (994)
994

>  <Formula> (994)
C18H20N2O4S2

>  <MolWeight> (994)
392.4924

>  <PCAT_CMPD_ID> (994)
WAY-308125

>  <CNC_ID> (994)
359420979

>  <transfer_container_id> (994)
PTN000000074

>  <COMPOUND_NUMBER> (994)
WAY-308125

>  <BAR_CODE_NO> (994)
3912032

>  <LOCATION_CODE> (994)
PTNCS

>  <AMOUNT_CURRENT> (994)
33.3

$$$$
WAY-308126
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.8936    0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936    1.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7557   -0.4857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0281   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7557    2.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0281    2.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350    0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1557    0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350    1.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1557    1.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350   -0.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616    0.1453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315   -1.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6581   -0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547    0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8788   -0.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0098    0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8788   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   -0.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0098    1.4488    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0098   -2.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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  2  0  0  0  0
  8 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (995)
995

>  <Formula> (995)
C18H15FN2O

>  <MolWeight> (995)
294.3229032

>  <PCAT_CMPD_ID> (995)
WAY-308126

>  <CNC_ID> (995)
359420980

>  <transfer_container_id> (995)
PTN000000074

>  <COMPOUND_NUMBER> (995)
WAY-308126

>  <BAR_CODE_NO> (995)
3912033

>  <LOCATION_CODE> (995)
PTNCS

>  <AMOUNT_CURRENT> (995)
33.4

$$$$
WAY-308128
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.1552   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724   -1.1552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759   -0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414    1.2241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931   -1.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2103   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6793   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2103    1.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5966    1.0759    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  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  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
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
  5  7  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (996)
996

>  <Formula> (996)
C10H15N3O2S

>  <MolWeight> (996)
241.31

>  <PCAT_CMPD_ID> (996)
WAY-308128

>  <CNC_ID> (996)
359420982

>  <transfer_container_id> (996)
PTN000000074

>  <COMPOUND_NUMBER> (996)
WAY-308128

>  <BAR_CODE_NO> (996)
3912035

>  <LOCATION_CODE> (996)
PTNCS

>  <AMOUNT_CURRENT> (996)
33.6

$$$$
WAY-308131
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.5345    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -0.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552    2.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2759   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    1.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3103   -0.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310    0.3724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -1.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1241    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1241   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -2.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9655   -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
  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  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> (997)
997

>  <Formula> (997)
C12H13N3O2S

>  <MolWeight> (997)
263.31552

>  <PCAT_CMPD_ID> (997)
WAY-308131

>  <CNC_ID> (997)
359420985

>  <transfer_container_id> (997)
PTN000000074

>  <COMPOUND_NUMBER> (997)
WAY-308131

>  <BAR_CODE_NO> (997)
3912038

>  <LOCATION_CODE> (997)
PTNCS

>  <AMOUNT_CURRENT> (997)
33.7

$$$$
WAY-308133
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2897    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310    0.0414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7379   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7379    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310    1.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310   -1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3069    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3793    0.0414    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  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
 21 22  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> (998)
998

>  <Formula> (998)
C14H16FN3O2S2

>  <MolWeight> (998)
341.4241432

>  <PCAT_CMPD_ID> (998)
WAY-308133

>  <CNC_ID> (998)
359420987

>  <transfer_container_id> (998)
PTN000000074

>  <COMPOUND_NUMBER> (998)
WAY-308133

>  <BAR_CODE_NO> (998)
3912041

>  <LOCATION_CODE> (998)
PTNCS

>  <AMOUNT_CURRENT> (998)
33.4

$$$$
WAY-308159
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8968    0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7968    1.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1899    0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6550    1.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    2.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    2.3177    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4657    0.1384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1899   -2.0892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6174   -2.0892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6032    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1032    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4657   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619    0.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    3.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550   -2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5205    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205   -1.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550   -3.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 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
  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> (999)
999

>  <Formula> (999)
C15H12N2O2S2

>  <MolWeight> (999)
316.39798

>  <PCAT_CMPD_ID> (999)
WAY-308159

>  <CNC_ID> (999)
359421013

>  <transfer_container_id> (999)
PTN000000074

>  <COMPOUND_NUMBER> (999)
WAY-308159

>  <BAR_CODE_NO> (999)
3912072

>  <LOCATION_CODE> (999)
PTNCS

>  <AMOUNT_CURRENT> (999)
33.8

$$$$
WAY-308180
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.1172    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0345    0.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    0.2690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    1.7897    0.0000 N   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
    2.2069   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    2.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172   -0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7345   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2345   -0.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552   -2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1448   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
  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> (1,000)
1000

>  <Formula> (1,000)
C15H16N2O3S

>  <MolWeight> (1,000)
304.36414

>  <PCAT_CMPD_ID> (1,000)
WAY-308180

>  <CNC_ID> (1,000)
359421034

>  <transfer_container_id> (1,000)
PTN000000074

>  <COMPOUND_NUMBER> (1,000)
WAY-308180

>  <BAR_CODE_NO> (1,000)
3912099

>  <LOCATION_CODE> (1,000)
PTNCS

>  <AMOUNT_CURRENT> (1,000)
33.6

$$$$
WAY-308196
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.3517    0.0724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5552   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1931   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897   -0.5759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517   -1.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931   -0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -0.9310    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  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  1  0  0  0  0
  9 19  1  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
 13 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,001)
1001

>  <Formula> (1,001)
C21H25BrO4S

>  <MolWeight> (1,001)
453.3898

>  <PCAT_CMPD_ID> (1,001)
WAY-308196

>  <CNC_ID> (1,001)
359421050

>  <transfer_container_id> (1,001)
PTN000000074

>  <COMPOUND_NUMBER> (1,001)
WAY-308196

>  <BAR_CODE_NO> (1,001)
3912124

>  <LOCATION_CODE> (1,001)
PTNCS

>  <AMOUNT_CURRENT> (1,001)
33.5

$$$$
WAY-308200
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.8690   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4414   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793   -3.0862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.5862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3103   -2.1172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    0.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    2.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9041    3.4302    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
  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
 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
 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
 23 24  1  0  0  0  0
 24 25  3  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> (1,002)
1002

>  <Formula> (1,002)
C18H17Cl2N3OS

>  <MolWeight> (1,002)
394.31808

>  <PCAT_CMPD_ID> (1,002)
WAY-308200

>  <CNC_ID> (1,002)
359421054

>  <transfer_container_id> (1,002)
PTN000000074

>  <COMPOUND_NUMBER> (1,002)
WAY-308200

>  <BAR_CODE_NO> (1,002)
3912129

>  <LOCATION_CODE> (1,002)
PTNCS

>  <AMOUNT_CURRENT> (1,002)
33.2

$$$$
WAY-308204
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.6138   -1.1034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2552   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -1.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069   -3.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966    0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    2.5966    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
  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
  5  8  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,003)
1003

>  <Formula> (1,003)
C13H13NO4

>  <MolWeight> (1,003)
247.24662

>  <PCAT_CMPD_ID> (1,003)
WAY-308204

>  <CNC_ID> (1,003)
359421058

>  <transfer_container_id> (1,003)
PTN000000074

>  <COMPOUND_NUMBER> (1,003)
WAY-308204

>  <BAR_CODE_NO> (1,003)
3912136

>  <LOCATION_CODE> (1,003)
PTNCS

>  <AMOUNT_CURRENT> (1,003)
33.4

$$$$
WAY-308232
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.2448    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    0.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8448    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -0.5586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9517    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8828    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828    0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7655    0.4138    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
   -2.2172    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4552    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.5931    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
   -2.9897   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621    0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7621   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276   -1.9207    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  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  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 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  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
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 22 24  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1004

>  <Formula> (1,004)
C22H19N3O2S

>  <MolWeight> (1,004)
389.47016

>  <PCAT_CMPD_ID> (1,004)
WAY-308232

>  <CNC_ID> (1,004)
359421086

>  <transfer_container_id> (1,004)
PTN000000074

>  <COMPOUND_NUMBER> (1,004)
WAY-308232

>  <BAR_CODE_NO> (1,004)
3912166

>  <LOCATION_CODE> (1,004)
PTNCS

>  <AMOUNT_CURRENT> (1,004)
33.7

$$$$
WAY-308246
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8310    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -0.3966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379   -1.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    0.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4069   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379    0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7552    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   -0.1310    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
  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  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,005)
1005

>  <Formula> (1,005)
C18H22N2O4S

>  <MolWeight> (1,005)
362.44328

>  <PCAT_CMPD_ID> (1,005)
WAY-308246

>  <CNC_ID> (1,005)
359421100

>  <transfer_container_id> (1,005)
PTN000000074

>  <COMPOUND_NUMBER> (1,005)
WAY-308246

>  <BAR_CODE_NO> (1,005)
3912181

>  <LOCATION_CODE> (1,005)
PTNCS

>  <AMOUNT_CURRENT> (1,005)
33.9

$$$$
WAY-308271
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.2448    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448    1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    1.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8345    0.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2034    2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7655    1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    1.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3724   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -0.1966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    1.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8069    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172    0.1862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069   -1.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5448   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2655   -2.5345    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
  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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  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> (1,006)
1006

>  <Formula> (1,006)
C21H16N4O4S

>  <MolWeight> (1,006)
420.44114

>  <PCAT_CMPD_ID> (1,006)
WAY-308271

>  <CNC_ID> (1,006)
359421125

>  <transfer_container_id> (1,006)
PTN000000074

>  <COMPOUND_NUMBER> (1,006)
WAY-308271

>  <BAR_CODE_NO> (1,006)
3912206

>  <LOCATION_CODE> (1,006)
PTNCS

>  <AMOUNT_CURRENT> (1,006)
33.1

$$$$
WAY-308276
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.6240   -0.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   -0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -1.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300   -0.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380   -1.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2790    0.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970   -1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880    1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6240    0.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850    0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940    0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240    1.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    0.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2790   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940    1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850    1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790   -1.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -1.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2940    1.1703    0.0000 C   0  0  0  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
  1  5  2  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 13  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  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 18  1  0  0  0  0
 22 18  2  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 12  1  0  0  0  0
  3  6  1  0  0  0  0
 17 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,007)
1007

>  <Formula> (1,007)
C17H19NO4

>  <MolWeight> (1,007)
301.33706

>  <PCAT_CMPD_ID> (1,007)
WAY-308276

>  <CNC_ID> (1,007)
359421130

>  <transfer_container_id> (1,007)
PTN000000074

>  <COMPOUND_NUMBER> (1,007)
WAY-308276

>  <BAR_CODE_NO> (1,007)
3912211

>  <LOCATION_CODE> (1,007)
PTNCS

>  <AMOUNT_CURRENT> (1,007)
33.5

$$$$
WAY-308285
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.2159    1.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7131   -2.0382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0651   -1.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4321    1.6908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159    0.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771    0.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771    1.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101   -2.1582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221   -2.8272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4321    0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5481   -2.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0651   -0.9222    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8789    1.6908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4321   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251    1.6908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4001   -1.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    1.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1719    1.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5119    0.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    1.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1599    0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    0.5568    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  2  0  0  0  0
  6 10  2  0  0  0  0
  4  7  2  0  0  0  0
  8  3  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 14  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  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 17 19  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  6  7  1  0  0  0  0
 21 22  2  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,008)
1008

>  <Formula> (1,008)
C13H14N8S

>  <MolWeight> (1,008)
314.36886

>  <PCAT_CMPD_ID> (1,008)
WAY-308285

>  <CNC_ID> (1,008)
359421139

>  <transfer_container_id> (1,008)
PTN000000074

>  <COMPOUND_NUMBER> (1,008)
WAY-308285

>  <BAR_CODE_NO> (1,008)
3912220

>  <LOCATION_CODE> (1,008)
PTNCS

>  <AMOUNT_CURRENT> (1,008)
33.6

$$$$
WAY-308293
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.1448    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -2.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8103   -2.8207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -0.4586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    1.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6690   -0.4103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9690    1.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9690    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3690   -0.4103    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
  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  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 10  2  0  0  0  0
  9 12  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,009)
1009

>  <Formula> (1,009)
C13H10FN3S2

>  <MolWeight> (1,009)
291.3670032

>  <PCAT_CMPD_ID> (1,009)
WAY-308293

>  <CNC_ID> (1,009)
359421147

>  <transfer_container_id> (1,009)
PTN000000074

>  <COMPOUND_NUMBER> (1,009)
WAY-308293

>  <BAR_CODE_NO> (1,009)
3912229

>  <LOCATION_CODE> (1,009)
PTNCS

>  <AMOUNT_CURRENT> (1,009)
33.9

$$$$
WAY-308294
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.7646   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1396   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4438   -2.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771   -0.7482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    2.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8396   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2938   -3.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1563   -2.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062    1.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5896    0.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9854    3.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354    0.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062    0.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7354    1.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229    2.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0729    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5604    0.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438   -2.7982    0.0000 C   0  0  0  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  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9 13  2  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 17  1  0  0  0  0
 14 16  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  3  1  0  0  0  0
  8  7  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,010)
1010

>  <Formula> (1,010)
C13H11NO4

>  <MolWeight> (1,010)
245.23074

>  <PCAT_CMPD_ID> (1,010)
WAY-308294

>  <CNC_ID> (1,010)
359421148

>  <transfer_container_id> (1,010)
PTN000000074

>  <COMPOUND_NUMBER> (1,010)
WAY-308294

>  <BAR_CODE_NO> (1,010)
3912230

>  <LOCATION_CODE> (1,010)
PTNCS

>  <AMOUNT_CURRENT> (1,010)
33

$$$$
WAY-308309
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.5572   -1.2410    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5803   -0.7202    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5803    0.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405   -0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4470    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6780   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2697   -1.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322   -1.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3178    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8553   -1.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5595   -0.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2053    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572    0.7923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1928    1.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4470    1.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2970    2.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1947    0.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3072   -1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4470   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9322    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8072    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9197   -0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1822   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3072    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0762    0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0512    2.3298    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  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 15  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  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14 11  2  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 17  6  2  0  0  0  0
 18  7  2  0  0  0  0
 19 17  1  0  0  0  0
 20 30  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  2  0  0  0  0
 23  4  1  0  0  0  0
 24  4  1  0  0  0  0
 25  2  1  0  0  0  0
 26 28  2  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 24  1  0  0  0  0
 31 14  1  0  0  0  0
 32 16  1  0  0  0  0
 26 27  1  0  0  0  0
 29 20  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,011)
1011

>  <Formula> (1,011)
C21H27N3O6S2

>  <MolWeight> (1,011)
481.58558

>  <PCAT_CMPD_ID> (1,011)
WAY-308309

>  <CNC_ID> (1,011)
359421163

>  <transfer_container_id> (1,011)
PTN000000074

>  <COMPOUND_NUMBER> (1,011)
WAY-308309

>  <BAR_CODE_NO> (1,011)
3912248

>  <LOCATION_CODE> (1,011)
PTNCS

>  <AMOUNT_CURRENT> (1,011)
33.2

$$$$
WAY-308312
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.5724   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793    0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5517    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -1.5690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7103   -0.4172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793    0.8034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    0.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    2.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    2.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690    2.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    3.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  8 11  1  0  0  0  0
 10 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
 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
 21 25  2  0  0  0  0
 24 26  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,012)
1012

>  <Formula> (1,012)
C17H16F3N3O3

>  <MolWeight> (1,012)
367.3224496

>  <PCAT_CMPD_ID> (1,012)
WAY-308312

>  <CNC_ID> (1,012)
359421166

>  <transfer_container_id> (1,012)
PTN000000074

>  <COMPOUND_NUMBER> (1,012)
WAY-308312

>  <BAR_CODE_NO> (1,012)
3912251

>  <LOCATION_CODE> (1,012)
PTNCS

>  <AMOUNT_CURRENT> (1,012)
33.8

$$$$
WAY-308319-A
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2931    0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    2.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    2.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069   -2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138    2.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034   -3.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483   -1.9172    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  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
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 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
  9 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
 15 20  1  0  0  0  0
 10 12  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,013)
1013

>  <Formula> (1,013)
C15H21N5

>  <MolWeight> (1,013)
271.36074

>  <PCAT_CMPD_ID> (1,013)
WAY-308319-A

>  <CNC_ID> (1,013)
359421173

>  <transfer_container_id> (1,013)
PTN000000074

>  <COMPOUND_NUMBER> (1,013)
WAY-308319-A

>  <BAR_CODE_NO> (1,013)
3912260

>  <LOCATION_CODE> (1,013)
PTNCS

>  <AMOUNT_CURRENT> (1,013)
33.7

$$$$
WAY-308320
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.2069    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1138    0.0000 N   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
   -2.4103    1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379    2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207   -1.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207   -2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069   -2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8241    1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379   -2.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552    2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9690    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  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
  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  2  0  0  0  0
 14 17  2  0  0  0  0
  7 10  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,014)
1014

>  <Formula> (1,014)
C12H17N5

>  <MolWeight> (1,014)
231.29688

>  <PCAT_CMPD_ID> (1,014)
WAY-308320

>  <CNC_ID> (1,014)
359421174

>  <transfer_container_id> (1,014)
PTN000000074

>  <COMPOUND_NUMBER> (1,014)
WAY-308320

>  <BAR_CODE_NO> (1,014)
3912261

>  <LOCATION_CODE> (1,014)
PTNCS

>  <AMOUNT_CURRENT> (1,014)
33

$$$$
WAY-308324
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.6207   -0.9828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -1.7069    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
    1.4207    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -1.1207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1069    0.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -2.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -0.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    1.4310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    1.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552    2.4448    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
  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
 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
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,015)
1015

>  <Formula> (1,015)
C18H17FN2O2

>  <MolWeight> (1,015)
312.3381832

>  <PCAT_CMPD_ID> (1,015)
WAY-308324

>  <CNC_ID> (1,015)
359421178

>  <transfer_container_id> (1,015)
PTN000000074

>  <COMPOUND_NUMBER> (1,015)
WAY-308324

>  <BAR_CODE_NO> (1,015)
3912265

>  <LOCATION_CODE> (1,015)
PTNCS

>  <AMOUNT_CURRENT> (1,015)
33.4

$$$$
WAY-308330
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.4000    0.8621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5172    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.2448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793    1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172    2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -0.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -1.6759    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
    0.8207   -2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   -2.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  7 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
 13 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  1  0  0  0  0
 11 16  2  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,016)
1016

>  <Formula> (1,016)
C21H24N2O4

>  <MolWeight> (1,016)
368.42626

>  <PCAT_CMPD_ID> (1,016)
WAY-308330

>  <CNC_ID> (1,016)
359421184

>  <transfer_container_id> (1,016)
PTN000000074

>  <COMPOUND_NUMBER> (1,016)
WAY-308330

>  <BAR_CODE_NO> (1,016)
3912271

>  <LOCATION_CODE> (1,016)
PTNCS

>  <AMOUNT_CURRENT> (1,016)
33.4

$$$$
WAY-308347
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.7759    0.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -0.4276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759    2.0621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483   -0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241   -1.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828    0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2759    0.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2759   -0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7621   -0.0034    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  1  0  0  0  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
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 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  2  0  0  0  0
 24 27  1  0  0  0  0
 26 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
 13 18  1  0  0  0  0
 20 22  2  0  0  0  0
 27 28  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,017)
1017

>  <Formula> (1,017)
C22H19ClN2O5S

>  <MolWeight> (1,017)
458.91466

>  <PCAT_CMPD_ID> (1,017)
WAY-308347

>  <CNC_ID> (1,017)
359421201

>  <transfer_container_id> (1,017)
PTN000000074

>  <COMPOUND_NUMBER> (1,017)
WAY-308347

>  <BAR_CODE_NO> (1,017)
3912289

>  <LOCATION_CODE> (1,017)
PTNCS

>  <AMOUNT_CURRENT> (1,017)
31.8

$$$$
WAY-308352
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.6517   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9345   -0.6793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    0.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3724    0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.2621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0862   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069    0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2103    0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3448    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897   -1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966   -0.2483    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
  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  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
 22 23  1  0  0  0  0
 22 24  2  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> (1,018)
1018

>  <Formula> (1,018)
C17H14N2O4S

>  <MolWeight> (1,018)
342.36906

>  <PCAT_CMPD_ID> (1,018)
WAY-308352

>  <CNC_ID> (1,018)
359421206

>  <transfer_container_id> (1,018)
PTN000000074

>  <COMPOUND_NUMBER> (1,018)
WAY-308352

>  <BAR_CODE_NO> (1,018)
3912295

>  <LOCATION_CODE> (1,018)
PTNCS

>  <AMOUNT_CURRENT> (1,018)
33.1

$$$$
WAY-308384
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.8390    0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296   -0.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872    1.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6179    0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2123   -0.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013   -1.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0074   -0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870   -2.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945   -1.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3821   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9692   -2.3886    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5889    0.7462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169    0.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    1.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    1.9779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0184   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    1.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4434    0.7521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478   -0.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 14 12  1  0  0  0  0
 14 15  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
  9 10  1  0  0  0  0
 14  1  1  0  0  0  0
 13 16  1  0  0  0  0
 13 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
 20 21  2  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,019)
1019

>  <Formula> (1,019)
C16H17ClN2O2

>  <MolWeight> (1,019)
304.77138

>  <PCAT_CMPD_ID> (1,019)
WAY-308384

>  <CNC_ID> (1,019)
359421238

>  <transfer_container_id> (1,019)
PTN000000074

>  <COMPOUND_NUMBER> (1,019)
WAY-308384

>  <BAR_CODE_NO> (1,019)
3912330

>  <LOCATION_CODE> (1,019)
PTNCS

>  <AMOUNT_CURRENT> (1,019)
33.3

$$$$
WAY-308389
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0958   -0.6042    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
   -1.5208   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.0375    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  5  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  1  1  0  0  0  0
  9 16  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  2  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  5  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 22  1  0  0  0  0
  6  3  1  0  0  0  0
  9 15  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,020)
1020

>  <Formula> (1,020)
C18H25N3O2

>  <MolWeight> (1,020)
315.41

>  <PCAT_CMPD_ID> (1,020)
WAY-308389

>  <CNC_ID> (1,020)
359421243

>  <transfer_container_id> (1,020)
PTN000000074

>  <COMPOUND_NUMBER> (1,020)
WAY-308389

>  <BAR_CODE_NO> (1,020)
3912335

>  <LOCATION_CODE> (1,020)
PTNCS

>  <AMOUNT_CURRENT> (1,020)
33.2

$$$$
WAY-308407
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.3793    0.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    0.8106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    0.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483   -0.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483    0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621   -0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -0.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621    1.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -0.2031    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345   -0.2894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241   -1.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -1.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    0.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3828   -0.4514    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  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
 12 16  1  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
 17 20  2  0  0  0  0
 18 21  1  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
 23 25  1  0  0  0  0
  7  8  1  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> (1,021)
1021

>  <Formula> (1,021)
C18H19N3O3S

>  <MolWeight> (1,021)
357.42676

>  <PCAT_CMPD_ID> (1,021)
WAY-308407

>  <CNC_ID> (1,021)
359421261

>  <transfer_container_id> (1,021)
PTN000000074

>  <COMPOUND_NUMBER> (1,021)
WAY-308407

>  <BAR_CODE_NO> (1,021)
3912353

>  <LOCATION_CODE> (1,021)
PTNCS

>  <AMOUNT_CURRENT> (1,021)
33.8

$$$$
WAY-308412
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.1966   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   -0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -1.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4862    1.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.0931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9310    0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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
  9 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,022)
1022

>  <Formula> (1,022)
C12H16N2O2

>  <MolWeight> (1,022)
220.26764

>  <PCAT_CMPD_ID> (1,022)
WAY-308412

>  <CNC_ID> (1,022)
359421266

>  <transfer_container_id> (1,022)
PTN000000074

>  <COMPOUND_NUMBER> (1,022)
WAY-308412

>  <BAR_CODE_NO> (1,022)
3912360

>  <LOCATION_CODE> (1,022)
PTNCS

>  <AMOUNT_CURRENT> (1,022)
33.4

$$$$
WAY-308413
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.3155    0.5206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8238   -0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4530   -0.6794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3637    0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -0.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738    0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7613   -0.4502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0137    0.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6595    0.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0613    0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512   -0.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137    0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6113    0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012   -0.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595    0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512   -0.5502    0.0000 C   0  0  0  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  9  2  0  0  0  0
  8  4  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 15  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
  3  5  1  0  0  0  0
  7 12  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,023)
1023

>  <Formula> (1,023)
C14H11N3O

>  <MolWeight> (1,023)
237.25664

>  <PCAT_CMPD_ID> (1,023)
WAY-308413

>  <CNC_ID> (1,023)
359421267

>  <transfer_container_id> (1,023)
PTN000000074

>  <COMPOUND_NUMBER> (1,023)
WAY-308413

>  <BAR_CODE_NO> (1,023)
3912361

>  <LOCATION_CODE> (1,023)
PTNCS

>  <AMOUNT_CURRENT> (1,023)
33

$$$$
WAY-308414
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.3000    0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552    0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    2.1554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069    2.1381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    2.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9931    0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7517   -1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -1.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4931    0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276   -1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7276   -1.9653    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  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
 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
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,024)
1024

>  <Formula> (1,024)
C15H11FN2O

>  <MolWeight> (1,024)
254.2590432

>  <PCAT_CMPD_ID> (1,024)
WAY-308414

>  <CNC_ID> (1,024)
359421268

>  <transfer_container_id> (1,024)
PTN000000074

>  <COMPOUND_NUMBER> (1,024)
WAY-308414

>  <BAR_CODE_NO> (1,024)
3912362

>  <LOCATION_CODE> (1,024)
PTNCS

>  <AMOUNT_CURRENT> (1,024)
33

$$$$
WAY-308421-A
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0894    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1204    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480    0.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894   -0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -0.7000    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  1  0  0  0  0
  5  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
 11 13  1  0  0  0  0
  7  8  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,025)
1025

>  <Formula> (1,025)
C9H12N2OS

>  <MolWeight> (1,025)
196.26938

>  <PCAT_CMPD_ID> (1,025)
WAY-308421-A

>  <CNC_ID> (1,025)
359421275

>  <transfer_container_id> (1,025)
PTN000000074

>  <COMPOUND_NUMBER> (1,025)
WAY-308421-A

>  <BAR_CODE_NO> (1,025)
3912371

>  <LOCATION_CODE> (1,025)
PTNCS

>  <AMOUNT_CURRENT> (1,025)
33.2

$$$$
WAY-308424
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.7862    0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759    0.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    0.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    1.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -1.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759    2.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138   -0.4211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069    1.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241   -0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621   -1.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621    0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5759   -0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069   -0.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138   -1.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8586    0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6966   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6586    0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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  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
 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
  7 10  1  0  0  0  0
 20 21  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,026)
1026

>  <Formula> (1,026)
C20H24N2O4

>  <MolWeight> (1,026)
356.41556

>  <PCAT_CMPD_ID> (1,026)
WAY-308424

>  <CNC_ID> (1,026)
359421278

>  <transfer_container_id> (1,026)
PTN000000074

>  <COMPOUND_NUMBER> (1,026)
WAY-308424

>  <BAR_CODE_NO> (1,026)
3912374

>  <LOCATION_CODE> (1,026)
PTNCS

>  <AMOUNT_CURRENT> (1,026)
33.2

$$$$
WAY-308425
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.0978   -0.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358    0.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116   -1.3299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427   -0.8161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4539    0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0564    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0254   -2.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047   -1.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7298    1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289    1.8322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289   -3.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8806   -2.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7987    1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5047   -4.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944   -3.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1608    2.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    1.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2539    3.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6056    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9746    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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  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
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 15 16  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,027)
1027

>  <Formula> (1,027)
C16H11N3OS

>  <MolWeight> (1,027)
293.34304

>  <PCAT_CMPD_ID> (1,027)
WAY-308425

>  <CNC_ID> (1,027)
359421279

>  <transfer_container_id> (1,027)
PTN000000074

>  <COMPOUND_NUMBER> (1,027)
WAY-308425

>  <BAR_CODE_NO> (1,027)
3912375

>  <LOCATION_CODE> (1,027)
PTNCS

>  <AMOUNT_CURRENT> (1,027)
33.4

$$$$
WAY-308428
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.5172    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -1.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6138   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448   -0.1483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448    1.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    1.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0655   -0.7345    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
  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
 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
 21 22  1  0  0  0  0
 21 23  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> (1,028)
1028

>  <Formula> (1,028)
C15H14N4O3S

>  <MolWeight> (1,028)
330.36166

>  <PCAT_CMPD_ID> (1,028)
WAY-308428

>  <CNC_ID> (1,028)
359421282

>  <transfer_container_id> (1,028)
PTN000000074

>  <COMPOUND_NUMBER> (1,028)
WAY-308428

>  <BAR_CODE_NO> (1,028)
3912379

>  <LOCATION_CODE> (1,028)
PTNCS

>  <AMOUNT_CURRENT> (1,028)
33.4

$$$$
WAY-308439
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.4172   -0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.2690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2690    1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    0.8586    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
   -2.1966    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -0.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897    0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 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> (1,029)
1029

>  <Formula> (1,029)
C18H17NO3

>  <MolWeight> (1,029)
295.33248

>  <PCAT_CMPD_ID> (1,029)
WAY-308439

>  <CNC_ID> (1,029)
359421292

>  <transfer_container_id> (1,029)
PTN000000074

>  <COMPOUND_NUMBER> (1,029)
WAY-308439

>  <BAR_CODE_NO> (1,029)
3912392

>  <LOCATION_CODE> (1,029)
PTNCS

>  <AMOUNT_CURRENT> (1,029)
33.5

$$$$
WAY-308444-A
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0454   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166   -0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0454   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    0.6416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684   -0.4791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6972   -1.6067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166   -1.6067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9972   -1.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684    1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316    1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6454   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    2.1416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    2.8933    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  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
  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
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,030)
1030

>  <Formula> (1,030)
C13H18N4S

>  <MolWeight> (1,030)
262.37382

>  <PCAT_CMPD_ID> (1,030)
WAY-308444-A

>  <CNC_ID> (1,030)
359421297

>  <transfer_container_id> (1,030)
PTN000000074

>  <COMPOUND_NUMBER> (1,030)
WAY-308444-A

>  <BAR_CODE_NO> (1,030)
3912398

>  <LOCATION_CODE> (1,030)
PTNCS

>  <AMOUNT_CURRENT> (1,030)
33.6

$$$$
WAY-308448
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6647    0.7545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544    1.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3491    0.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3164    1.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164    2.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095   -1.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353    0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1337    1.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4578    0.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077   -0.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0923    1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4199   -0.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008   -1.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2371    0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146   -1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077   -2.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7456   -0.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215   -1.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7629   -0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4525   -0.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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> (1,031)
1031

>  <Formula> (1,031)
C19H21NO

>  <MolWeight> (1,031)
279.37614

>  <PCAT_CMPD_ID> (1,031)
WAY-308448

>  <CNC_ID> (1,031)
359421301

>  <transfer_container_id> (1,031)
PTN000000074

>  <COMPOUND_NUMBER> (1,031)
WAY-308448

>  <BAR_CODE_NO> (1,031)
3912404

>  <LOCATION_CODE> (1,031)
PTNCS

>  <AMOUNT_CURRENT> (1,031)
33.2

$$$$
WAY-308452
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0724   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    0.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069   -1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586    0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276   -0.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931    0.1069    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  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
 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
 20 22  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> (1,032)
1032

>  <Formula> (1,032)
C17H16N2O3

>  <MolWeight> (1,032)
296.32054

>  <PCAT_CMPD_ID> (1,032)
WAY-308452

>  <CNC_ID> (1,032)
359421305

>  <transfer_container_id> (1,032)
PTN000000074

>  <COMPOUND_NUMBER> (1,032)
WAY-308452

>  <BAR_CODE_NO> (1,032)
3912409

>  <LOCATION_CODE> (1,032)
PTNCS

>  <AMOUNT_CURRENT> (1,032)
33.8

$$$$
WAY-308456
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9000   -0.2310    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
   -0.4828   -0.4655    0.0000 N   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
   -0.4828    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    0.2690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586    0.9931    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
    0.3172   -0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793   -0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    0.3414    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
  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  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
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,033)
1033

>  <Formula> (1,033)
C17H19N5O

>  <MolWeight> (1,033)
309.36566

>  <PCAT_CMPD_ID> (1,033)
WAY-308456

>  <CNC_ID> (1,033)
359421309

>  <transfer_container_id> (1,033)
PTN000000074

>  <COMPOUND_NUMBER> (1,033)
WAY-308456

>  <BAR_CODE_NO> (1,033)
3912413

>  <LOCATION_CODE> (1,033)
PTNCS

>  <AMOUNT_CURRENT> (1,033)
33.8

$$$$
WAY-308463
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.4414    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    1.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    2.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    2.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    1.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    2.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -3.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 15 20  1  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  2  0  0  0  0
 18 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
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 19 21  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,034)
1034

>  <Formula> (1,034)
C23H22N4O3

>  <MolWeight> (1,034)
402.44578

>  <PCAT_CMPD_ID> (1,034)
WAY-308463

>  <CNC_ID> (1,034)
359421316

>  <transfer_container_id> (1,034)
PTN000000074

>  <COMPOUND_NUMBER> (1,034)
WAY-308463

>  <BAR_CODE_NO> (1,034)
3912427

>  <LOCATION_CODE> (1,034)
PTNCS

>  <AMOUNT_CURRENT> (1,034)
33.5

$$$$
WAY-308466
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.4414    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    1.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    2.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897   -0.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2931    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    2.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    1.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -2.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    2.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414   -3.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 15 20  1  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  2  0  0  0  0
 18 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
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 19 21  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,035)
1035

>  <Formula> (1,035)
C23H23N5O2

>  <MolWeight> (1,035)
401.46102

>  <PCAT_CMPD_ID> (1,035)
WAY-308466

>  <CNC_ID> (1,035)
359421319

>  <transfer_container_id> (1,035)
PTN000000074

>  <COMPOUND_NUMBER> (1,035)
WAY-308466

>  <BAR_CODE_NO> (1,035)
3912430

>  <LOCATION_CODE> (1,035)
PTNCS

>  <AMOUNT_CURRENT> (1,035)
33.2

$$$$
WAY-308479
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.1793   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4759   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    1.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3172    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724   -1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0276   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0276    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    1.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621    0.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  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
 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
 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
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
 24 25  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,036)
1036

>  <Formula> (1,036)
C24H19N5O3

>  <MolWeight> (1,036)
425.43936

>  <PCAT_CMPD_ID> (1,036)
WAY-308479

>  <CNC_ID> (1,036)
359421332

>  <transfer_container_id> (1,036)
PTN000000074

>  <COMPOUND_NUMBER> (1,036)
WAY-308479

>  <BAR_CODE_NO> (1,036)
3912443

>  <LOCATION_CODE> (1,036)
PTNCS

>  <AMOUNT_CURRENT> (1,036)
33.8

$$$$
WAY-308518
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.2138    0.5517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9759    0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    1.4517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345    0.5759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9759   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8345   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483   -1.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -0.0862    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  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
  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
 10 16  2  0  0  0  0
 13 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,037)
1037

>  <Formula> (1,037)
C13H15NO4S

>  <MolWeight> (1,037)
281.3275

>  <PCAT_CMPD_ID> (1,037)
WAY-308518

>  <CNC_ID> (1,037)
359421371

>  <transfer_container_id> (1,037)
PTN000000074

>  <COMPOUND_NUMBER> (1,037)
WAY-308518

>  <BAR_CODE_NO> (1,037)
3912486

>  <LOCATION_CODE> (1,037)
PTNCS

>  <AMOUNT_CURRENT> (1,037)
33.3

$$$$
WAY-308530
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9517    0.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483    0.4759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2862   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8517   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345   -1.1241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -0.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    0.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483   -1.0966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6793   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172   -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
  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
 10 14  1  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  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
  7  8  1  0  0  0  0
 12 14  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,038)
1038

>  <Formula> (1,038)
C15H14ClN3O2S

>  <MolWeight> (1,038)
335.80856

>  <PCAT_CMPD_ID> (1,038)
WAY-308530

>  <CNC_ID> (1,038)
359421383

>  <transfer_container_id> (1,038)
PTN000000074

>  <COMPOUND_NUMBER> (1,038)
WAY-308530

>  <BAR_CODE_NO> (1,038)
3912503

>  <LOCATION_CODE> (1,038)
PTNCS

>  <AMOUNT_CURRENT> (1,038)
33.8

$$$$
WAY-308548
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.3241    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414    0.7379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0069    0.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172    2.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    3.4138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759   -1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414   -2.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759   -1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345   -3.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3138   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6276   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2724    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    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  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
 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 13  2  0  0  0  0
 16 19  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,039)
1039

>  <Formula> (1,039)
C18H19FN2O4S

>  <MolWeight> (1,039)
378.4178632

>  <PCAT_CMPD_ID> (1,039)
WAY-308548

>  <CNC_ID> (1,039)
359421401

>  <transfer_container_id> (1,039)
PTN000000074

>  <COMPOUND_NUMBER> (1,039)
WAY-308548

>  <BAR_CODE_NO> (1,039)
3912527

>  <LOCATION_CODE> (1,039)
PTNCS

>  <AMOUNT_CURRENT> (1,039)
33.1

$$$$
WAY-308573
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.9172   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3724   -2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621    1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0448    1.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    3.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7759   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4034    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -1.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828   -2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2310    0.3724    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  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
  9 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
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
  7  8  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,040)
1040

>  <Formula> (1,040)
C13H11NO4

>  <MolWeight> (1,040)
245.23074

>  <PCAT_CMPD_ID> (1,040)
WAY-308573

>  <CNC_ID> (1,040)
359421426

>  <transfer_container_id> (1,040)
PTN000000074

>  <COMPOUND_NUMBER> (1,040)
WAY-308573

>  <BAR_CODE_NO> (1,040)
3912552

>  <LOCATION_CODE> (1,040)
PTNCS

>  <AMOUNT_CURRENT> (1,040)
33.2

$$$$
WAY-308637
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.8931   -0.5793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8931    0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310   -1.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    2.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    3.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759   -1.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4759   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4759    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069   -3.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759   -2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    3.2690    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  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
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  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
 14 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  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
 23 27  1  0  0  0  0
  9 12  2  0  0  0  0
 15 20  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,041)
1041

>  <Formula> (1,041)
C21H15FN2O3

>  <MolWeight> (1,041)
362.3538032

>  <PCAT_CMPD_ID> (1,041)
WAY-308637

>  <CNC_ID> (1,041)
359421490

>  <transfer_container_id> (1,041)
PTN000000074

>  <COMPOUND_NUMBER> (1,041)
WAY-308637

>  <BAR_CODE_NO> (1,041)
3912621

>  <LOCATION_CODE> (1,041)
PTNCS

>  <AMOUNT_CURRENT> (1,041)
33.1

$$$$
WAY-308641
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.2686    0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410    0.0452    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6065   -0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6065    0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168    0.0452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410    0.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410   -0.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3203   -0.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3203    0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    0.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7065    0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858   -1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3935   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073    1.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3858    0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6314    0.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280    0.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2590    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280    0.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280   -0.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5935   -0.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5935    0.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142   -0.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314    0.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6832    0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6832   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 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
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
  9 12  2  0  0  0  0
 17 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,042)
1042

>  <Formula> (1,042)
C21H28N2O4S2

>  <MolWeight> (1,042)
436.58802

>  <PCAT_CMPD_ID> (1,042)
WAY-308641

>  <CNC_ID> (1,042)
359421494

>  <transfer_container_id> (1,042)
PTN000000074

>  <COMPOUND_NUMBER> (1,042)
WAY-308641

>  <BAR_CODE_NO> (1,042)
3912625

>  <LOCATION_CODE> (1,042)
PTNCS

>  <AMOUNT_CURRENT> (1,042)
33.9

$$$$
WAY-308673
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.6446    0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550    0.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3036   -0.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2860    1.5832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032   -1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6239    0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2657    0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036    1.5832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1136   -1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239    0.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3554    0.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964   -0.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243    0.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6036   -1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -0.9237    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.3036    0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7347   -1.4168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5657   -0.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 16 18  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,043)
1043

>  <Formula> (1,043)
C13H8ClN3O

>  <MolWeight> (1,043)
257.67512

>  <PCAT_CMPD_ID> (1,043)
WAY-308673

>  <CNC_ID> (1,043)
359421526

>  <transfer_container_id> (1,043)
PTN000000074

>  <COMPOUND_NUMBER> (1,043)
WAY-308673

>  <BAR_CODE_NO> (1,043)
3912659

>  <LOCATION_CODE> (1,043)
PTNCS

>  <AMOUNT_CURRENT> (1,043)
33.8

$$$$
WAY-308677
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.6862   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276   -0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    1.0414    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -0.3345    0.0000 C   0  0  0  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
   -2.2345   -0.5345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138    0.5655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    0.0276    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  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  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
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,044)
1044

>  <Formula> (1,044)
C14H8BrNO3S

>  <MolWeight> (1,044)
350.18722

>  <PCAT_CMPD_ID> (1,044)
WAY-308677

>  <CNC_ID> (1,044)
359421530

>  <transfer_container_id> (1,044)
PTN000000074

>  <COMPOUND_NUMBER> (1,044)
WAY-308677

>  <BAR_CODE_NO> (1,044)
3912663

>  <LOCATION_CODE> (1,044)
PTNCS

>  <AMOUNT_CURRENT> (1,044)
33.7

$$$$
WAY-308679
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.8103    0.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310   -0.2345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0310   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517   -0.6345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6069   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6138   -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  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
 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
 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
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,045)
1045

>  <Formula> (1,045)
C19H21FN2OS

>  <MolWeight> (1,045)
344.4462432

>  <PCAT_CMPD_ID> (1,045)
WAY-308679

>  <CNC_ID> (1,045)
359421532

>  <transfer_container_id> (1,045)
PTN000000074

>  <COMPOUND_NUMBER> (1,045)
WAY-308679

>  <BAR_CODE_NO> (1,045)
3912665

>  <LOCATION_CODE> (1,045)
PTNCS

>  <AMOUNT_CURRENT> (1,045)
33.2

$$$$
WAY-308702
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.7573    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7608   -0.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9711    0.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3401    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    1.4735    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539   -1.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3401   -0.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6151    0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1332   -1.2679    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4082    0.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6151    1.4735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9910    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8185    0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841   -0.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392   -0.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9737   -1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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  1  0  0  0  0
  7  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,046)
1046

>  <Formula> (1,046)
C13H11Cl2NO3

>  <MolWeight> (1,046)
300.13734

>  <PCAT_CMPD_ID> (1,046)
WAY-308702

>  <CNC_ID> (1,046)
359421555

>  <transfer_container_id> (1,046)
PTN000000074

>  <COMPOUND_NUMBER> (1,046)
WAY-308702

>  <BAR_CODE_NO> (1,046)
3912688

>  <LOCATION_CODE> (1,046)
PTNCS

>  <AMOUNT_CURRENT> (1,046)
33.4

$$$$
WAY-308703
csChFnd80/11182011152D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.1437   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1437    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804   -1.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4472   -1.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4472    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506   -1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7425    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506    2.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701   -0.4690    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  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
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,047)
1047

>  <Formula> (1,047)
C8H9N3O

>  <MolWeight> (1,047)
163.17656

>  <PCAT_CMPD_ID> (1,047)
WAY-308703

>  <CNC_ID> (1,047)
359421556

>  <transfer_container_id> (1,047)
PTN000000074

>  <COMPOUND_NUMBER> (1,047)
WAY-308703

>  <BAR_CODE_NO> (1,047)
3912689

>  <LOCATION_CODE> (1,047)
PTNCS

>  <AMOUNT_CURRENT> (1,047)
33.3

$$$$
WAY-308706
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.7532   -1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7532   -2.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843   -1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6394   -1.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843   -2.9717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6394   -3.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808   -2.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670   -0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5222   -1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5222   -2.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8433    0.8283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1571    2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    2.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1571    2.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7882    3.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4709    3.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882    3.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
  9 10  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,048)
1048

>  <Formula> (1,048)
C17H18N2

>  <MolWeight> (1,048)
250.33822

>  <PCAT_CMPD_ID> (1,048)
WAY-308706

>  <CNC_ID> (1,048)
359421559

>  <transfer_container_id> (1,048)
PTN000000074

>  <COMPOUND_NUMBER> (1,048)
WAY-308706

>  <BAR_CODE_NO> (1,048)
3912693

>  <LOCATION_CODE> (1,048)
PTNCS

>  <AMOUNT_CURRENT> (1,048)
33.3

$$$$
WAY-308721
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4172   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    0.6586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310    0.6207    0.0000 C   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
    0.5828   -1.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    1.2724    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
    1.3828   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7310    2.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552    1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.7897    0.0000 C   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
    2.7690   -0.9276    0.0000 O   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
    3.1448   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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
 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  6  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,049)
1049

>  <Formula> (1,049)
C11H11N3O2S

>  <MolWeight> (1,049)
249.28894

>  <PCAT_CMPD_ID> (1,049)
WAY-308721

>  <CNC_ID> (1,049)
359421574

>  <transfer_container_id> (1,049)
PTN000000074

>  <COMPOUND_NUMBER> (1,049)
WAY-308721

>  <BAR_CODE_NO> (1,049)
3912710

>  <LOCATION_CODE> (1,049)
PTNCS

>  <AMOUNT_CURRENT> (1,049)
33.7

$$$$
WAY-308785
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.1037   -1.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520   -0.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762   -1.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -2.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6865   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1624   -0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0141   -0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520   -1.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6865    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279    0.4240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3859   -0.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.2344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9480    1.4620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0859    0.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7721    1.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8894    0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2100    2.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4376    1.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480   -0.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2480    1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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
  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> (1,050)
1050

>  <Formula> (1,050)
C16H14N2O4S

>  <MolWeight> (1,050)
330.35836

>  <PCAT_CMPD_ID> (1,050)
WAY-308785

>  <CNC_ID> (1,050)
359421638

>  <transfer_container_id> (1,050)
PTN000000074

>  <COMPOUND_NUMBER> (1,050)
WAY-308785

>  <BAR_CODE_NO> (1,050)
3912775

>  <LOCATION_CODE> (1,050)
PTNCS

>  <AMOUNT_CURRENT> (1,050)
33.4

$$$$
WAY-308802
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.2000    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000    2.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250    2.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    0.4208    0.0000 C   0  0  0  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  4  1  0  0  0  0
  9  7  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  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
  4  5  1  0  0  0  0
 10 14  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,051)
1051

>  <Formula> (1,051)
C13H16FN5

>  <MolWeight> (1,051)
261.2980432

>  <PCAT_CMPD_ID> (1,051)
WAY-308802

>  <CNC_ID> (1,051)
359421655

>  <transfer_container_id> (1,051)
PTN000000074

>  <COMPOUND_NUMBER> (1,051)
WAY-308802

>  <BAR_CODE_NO> (1,051)
3912794

>  <LOCATION_CODE> (1,051)
PTNCS

>  <AMOUNT_CURRENT> (1,051)
33.8

$$$$
WAY-308821
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5862    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -0.4310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -0.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -0.4586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.8345    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
    1.8793   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862    0.2483    0.0000 O   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   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0862   -0.4000    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
  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
 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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,052)
1052

>  <Formula> (1,052)
C15H20N2O2S2

>  <MolWeight> (1,052)
324.4615

>  <PCAT_CMPD_ID> (1,052)
WAY-308821

>  <CNC_ID> (1,052)
359421674

>  <transfer_container_id> (1,052)
PTN000000074

>  <COMPOUND_NUMBER> (1,052)
WAY-308821

>  <BAR_CODE_NO> (1,052)
3912815

>  <LOCATION_CODE> (1,052)
PTNCS

>  <AMOUNT_CURRENT> (1,052)
33.6

$$$$
WAY-308827-A
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.7103    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690   -1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -0.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138   -1.4069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6897   -1.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207   -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
  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
  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
 17 20  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,053)
1053

>  <Formula> (1,053)
C15H26N2O2S

>  <MolWeight> (1,053)
298.44414

>  <PCAT_CMPD_ID> (1,053)
WAY-308827-A

>  <CNC_ID> (1,053)
359421680

>  <transfer_container_id> (1,053)
PTN000000074

>  <COMPOUND_NUMBER> (1,053)
WAY-308827-A

>  <BAR_CODE_NO> (1,053)
3912821

>  <LOCATION_CODE> (1,053)
PTNCS

>  <AMOUNT_CURRENT> (1,053)
33.4

$$$$
WAY-308845
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.1931    0.3483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1931    1.3241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.0483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069    1.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6931    0.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.7759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2138    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -1.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1931    0.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5310   -1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0552   -1.2759    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  1  0  0  0  0
  4  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
 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  1  0  0  0  0
 15 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
  6  8  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,054)
1054

>  <Formula> (1,054)
C15H18BrN3O4S2

>  <MolWeight> (1,054)
448.35512

>  <PCAT_CMPD_ID> (1,054)
WAY-308845

>  <CNC_ID> (1,054)
359421698

>  <transfer_container_id> (1,054)
PTN000000074

>  <COMPOUND_NUMBER> (1,054)
WAY-308845

>  <BAR_CODE_NO> (1,054)
3912843

>  <LOCATION_CODE> (1,054)
PTNCS

>  <AMOUNT_CURRENT> (1,054)
33.4

$$$$
WAY-308850
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.8207    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483    1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862    1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379    2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.7448    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
   -5.7138    1.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5448    3.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5897    3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -1.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414   -1.5483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7103    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414   -0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2138   -1.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241   -3.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4655   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621   -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  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
 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
 18 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
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,055)
1055

>  <Formula> (1,055)
C21H23NO3

>  <MolWeight> (1,055)
337.41222

>  <PCAT_CMPD_ID> (1,055)
WAY-308850

>  <CNC_ID> (1,055)
359421703

>  <transfer_container_id> (1,055)
PTN000000074

>  <COMPOUND_NUMBER> (1,055)
WAY-308850

>  <BAR_CODE_NO> (1,055)
3912851

>  <LOCATION_CODE> (1,055)
PTNCS

>  <AMOUNT_CURRENT> (1,055)
33.2

$$$$
WAY-308859
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.1241   -0.5310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7103    0.1862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9414   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103   -1.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    0.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    1.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1828   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -0.5310    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    0.7759    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
  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
  9 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
 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  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  7  8  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,056)
1056

>  <Formula> (1,056)
C15H16F3NO4

>  <MolWeight> (1,056)
331.2870496

>  <PCAT_CMPD_ID> (1,056)
WAY-308859

>  <CNC_ID> (1,056)
359421712

>  <transfer_container_id> (1,056)
PTN000000074

>  <COMPOUND_NUMBER> (1,056)
WAY-308859

>  <BAR_CODE_NO> (1,056)
3912864

>  <LOCATION_CODE> (1,056)
PTNCS

>  <AMOUNT_CURRENT> (1,056)
33.2

$$$$
WAY-308861
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.7897    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    0.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -0.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    2.0759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -1.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621   -1.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -2.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828   -1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -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  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
 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 11  1  0  0  0  0
 15 16  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,057)
1057

>  <Formula> (1,057)
C19H15FN2O3

>  <MolWeight> (1,057)
338.3324032

>  <PCAT_CMPD_ID> (1,057)
WAY-308861

>  <CNC_ID> (1,057)
359421714

>  <transfer_container_id> (1,057)
PTN000000074

>  <COMPOUND_NUMBER> (1,057)
WAY-308861

>  <BAR_CODE_NO> (1,057)
3912866

>  <LOCATION_CODE> (1,057)
PTNCS

>  <AMOUNT_CURRENT> (1,057)
33

$$$$
WAY-308868
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.4655    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690    1.6826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517    0.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -1.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241    1.5343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3448    0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.5209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103   -0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0793   -1.7140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1138    0.6688    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
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,058)
1058

>  <Formula> (1,058)
C8H7N3O3S

>  <MolWeight> (1,058)
225.22448

>  <PCAT_CMPD_ID> (1,058)
WAY-308868

>  <CNC_ID> (1,058)
359421721

>  <transfer_container_id> (1,058)
PTN000000074

>  <COMPOUND_NUMBER> (1,058)
WAY-308868

>  <BAR_CODE_NO> (1,058)
3912873

>  <LOCATION_CODE> (1,058)
PTNCS

>  <AMOUNT_CURRENT> (1,058)
33.2

$$$$
WAY-308881
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.7144   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5106   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0856   -2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3394   -2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2606    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -1.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2106   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7106    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2727   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  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  9  1  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 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  5  3  1  0  0  0  0
 18 16  2  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,059)
1059

>  <Formula> (1,059)
C13H11N3OS

>  <MolWeight> (1,059)
257.31094

>  <PCAT_CMPD_ID> (1,059)
WAY-308881

>  <CNC_ID> (1,059)
359421734

>  <transfer_container_id> (1,059)
PTN000000074

>  <COMPOUND_NUMBER> (1,059)
WAY-308881

>  <BAR_CODE_NO> (1,059)
3912890

>  <LOCATION_CODE> (1,059)
PTNCS

>  <AMOUNT_CURRENT> (1,059)
33.6

$$$$
WAY-308883
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.9174   -0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968    0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274   -0.5032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761   -1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895    0.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209   -1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933   -0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071    2.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9308    0.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6067    2.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5485    2.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381    3.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7170   -0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2791   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1032   -1.8826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5964   -2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2722   -2.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 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  8  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,060)
1060

>  <Formula> (1,060)
C13H11NO3S

>  <MolWeight> (1,060)
261.29634

>  <PCAT_CMPD_ID> (1,060)
WAY-308883

>  <CNC_ID> (1,060)
359421736

>  <transfer_container_id> (1,060)
PTN000000074

>  <COMPOUND_NUMBER> (1,060)
WAY-308883

>  <BAR_CODE_NO> (1,060)
3912895

>  <LOCATION_CODE> (1,060)
PTNCS

>  <AMOUNT_CURRENT> (1,060)
33.4

$$$$
WAY-308886
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3517   -0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    0.3379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0069   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -0.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483    0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621   -1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -1.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379    2.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    2.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9138   -2.2759    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
  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
  6 13  2  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
 11 17  2  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
 15 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
 19 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 11  1  0  0  0  0
 20 23  2  0  0  0  0
 22 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,061)
1061

>  <Formula> (1,061)
C20H21FN2O4S

>  <MolWeight> (1,061)
404.4551432

>  <PCAT_CMPD_ID> (1,061)
WAY-308886

>  <CNC_ID> (1,061)
359421739

>  <transfer_container_id> (1,061)
PTN000000074

>  <COMPOUND_NUMBER> (1,061)
WAY-308886

>  <BAR_CODE_NO> (1,061)
3912898

>  <LOCATION_CODE> (1,061)
PTNCS

>  <AMOUNT_CURRENT> (1,061)
33.9

$$$$
WAY-308895
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0448    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -1.0103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -0.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    1.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6931    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -1.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2724   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -1.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    2.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345   -2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9690   -1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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  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
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C15H12N2O2S

>  <MolWeight> (1,062)
284.33298

>  <PCAT_CMPD_ID> (1,062)
WAY-308895

>  <CNC_ID> (1,062)
359421748

>  <transfer_container_id> (1,062)
PTN000000074

>  <COMPOUND_NUMBER> (1,062)
WAY-308895

>  <BAR_CODE_NO> (1,062)
3912907

>  <LOCATION_CODE> (1,062)
PTNCS

>  <AMOUNT_CURRENT> (1,062)
33.8

$$$$
WAY-308900
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -1.9726    0.5172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2623    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726   -0.3069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4002    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5485    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5623   -1.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485   -0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1105    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3933    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5485   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1105    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8312    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8688   -0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998   -0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5895   -1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4377   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7136    0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7274   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412   -1.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4170    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308   -2.7655    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
  4  8  1  0  0  0  0
  4  9  2  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
 11 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
 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
 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
 12 15  2  0  0  0  0
 18 20  2  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,063)
1063

>  <Formula> (1,063)
C25H28N2O4S

>  <MolWeight> (1,063)
452.56582

>  <PCAT_CMPD_ID> (1,063)
WAY-308900

>  <CNC_ID> (1,063)
359421753

>  <transfer_container_id> (1,063)
PTN000000074

>  <COMPOUND_NUMBER> (1,063)
WAY-308900

>  <BAR_CODE_NO> (1,063)
3912914

>  <LOCATION_CODE> (1,063)
PTNCS

>  <AMOUNT_CURRENT> (1,063)
33.7

$$$$
WAY-308902
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.0931   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034   -1.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -2.1276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -2.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5448   -2.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    1.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    3.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517    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  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
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 12 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
  5  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,064)
1064

>  <Formula> (1,064)
C15H19N3O3S

>  <MolWeight> (1,064)
321.39466

>  <PCAT_CMPD_ID> (1,064)
WAY-308902

>  <CNC_ID> (1,064)
359421755

>  <transfer_container_id> (1,064)
PTN000000074

>  <COMPOUND_NUMBER> (1,064)
WAY-308902

>  <BAR_CODE_NO> (1,064)
3912916

>  <LOCATION_CODE> (1,064)
PTNCS

>  <AMOUNT_CURRENT> (1,064)
33.3

$$$$
WAY-308904
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.3207   -0.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -0.4811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    0.7982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -0.5742    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7689    0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3069    0.9810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -0.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758    0.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449   -0.1155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -1.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104   -0.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207    1.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0138    0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
 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> (1,065)
1065

>  <Formula> (1,065)
C12H13N3OS2

>  <MolWeight> (1,065)
279.38112

>  <PCAT_CMPD_ID> (1,065)
WAY-308904

>  <CNC_ID> (1,065)
359421757

>  <transfer_container_id> (1,065)
PTN000000074

>  <COMPOUND_NUMBER> (1,065)
WAY-308904

>  <BAR_CODE_NO> (1,065)
3912919

>  <LOCATION_CODE> (1,065)
PTNCS

>  <AMOUNT_CURRENT> (1,065)
33.3

$$$$
WAY-308912
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4931    0.0207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4931    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379    1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759    2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -0.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    1.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552   -2.1172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    3.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621   -1.5552    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  1  0  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
  7 13  1  0  0  0  0
  7 14  2  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
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 13 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 15  1  0  0  0  0
 12 18  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,066)
1066

>  <Formula> (1,066)
C20H20N2O3S

>  <MolWeight> (1,066)
368.4494

>  <PCAT_CMPD_ID> (1,066)
WAY-308912

>  <CNC_ID> (1,066)
359421765

>  <transfer_container_id> (1,066)
PTN000000074

>  <COMPOUND_NUMBER> (1,066)
WAY-308912

>  <BAR_CODE_NO> (1,066)
3912931

>  <LOCATION_CODE> (1,066)
PTNCS

>  <AMOUNT_CURRENT> (1,066)
33.2

$$$$
WAY-308923
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.4862    0.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    1.3310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2241    0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    0.5034    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
    0.4793   -1.1414    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6241    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    2.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759   -1.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -0.7276    0.0000 O   0  5  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
   -1.6448   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0793   -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  1  0  0  0  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  3  0  0  0  0
  9 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
 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
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,067)
1067

>  <Formula> (1,067)
C16H12N4O2

>  <MolWeight> (1,067)
292.29208

>  <PCAT_CMPD_ID> (1,067)
WAY-308923

>  <CNC_ID> (1,067)
359421776

>  <transfer_container_id> (1,067)
PTN000000074

>  <COMPOUND_NUMBER> (1,067)
WAY-308923

>  <BAR_CODE_NO> (1,067)
3912942

>  <LOCATION_CODE> (1,067)
PTNCS

>  <AMOUNT_CURRENT> (1,067)
33

$$$$
WAY-308928
csChFnd80/11182011152D

 23 25  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
   -0.7034   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483    0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    1.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    0.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172    1.8793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9897    0.9655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2034   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9448    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2724   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0966   -0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    0.9172    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
  8 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  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
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,068)
1068

>  <Formula> (1,068)
C16H19N5OS

>  <MolWeight> (1,068)
329.41996

>  <PCAT_CMPD_ID> (1,068)
WAY-308928

>  <CNC_ID> (1,068)
359421781

>  <transfer_container_id> (1,068)
PTN000000074

>  <COMPOUND_NUMBER> (1,068)
WAY-308928

>  <BAR_CODE_NO> (1,068)
3912948

>  <LOCATION_CODE> (1,068)
PTNCS

>  <AMOUNT_CURRENT> (1,068)
33.5

$$$$
WAY-308929
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.1274    0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1274    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274   -0.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1964    1.8656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757    0.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757   -1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481    1.5139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    3.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5481    2.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5653   -1.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757   -2.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6757   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8347   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8347   -1.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -1.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -1.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8140   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8140   -1.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -3.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8140    0.3656    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481   -3.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243    0.9173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2657    1.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4002   -0.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243    2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8243    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  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
 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
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,069)
1069

>  <Formula> (1,069)
C20H27N5O4S

>  <MolWeight> (1,069)
433.52448

>  <PCAT_CMPD_ID> (1,069)
WAY-308929

>  <CNC_ID> (1,069)
359421782

>  <transfer_container_id> (1,069)
PTN000000074

>  <COMPOUND_NUMBER> (1,069)
WAY-308929

>  <BAR_CODE_NO> (1,069)
3912949

>  <LOCATION_CODE> (1,069)
PTNCS

>  <AMOUNT_CURRENT> (1,069)
33.1

$$$$
WAY-308934
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.7376    1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8031    0.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100    2.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5928    2.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1900    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031    3.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618    3.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4762   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3445    4.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238    3.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756   -1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0031    5.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244   -1.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1106   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037   -3.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3658   -3.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762   -3.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6279   -4.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762   -4.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -5.1000    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  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
 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
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,070)
1070

>  <Formula> (1,070)
C19H13N3O2

>  <MolWeight> (1,070)
315.32542

>  <PCAT_CMPD_ID> (1,070)
WAY-308934

>  <CNC_ID> (1,070)
359421787

>  <transfer_container_id> (1,070)
PTN000000074

>  <COMPOUND_NUMBER> (1,070)
WAY-308934

>  <BAR_CODE_NO> (1,070)
3912956

>  <LOCATION_CODE> (1,070)
PTNCS

>  <AMOUNT_CURRENT> (1,070)
33.2

$$$$
WAY-308950
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4034    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    3.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    2.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    4.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586   -2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793   -2.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2759   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034   -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
  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  1  0  0  0  0
 12 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
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 22 25  1  0  0  0  0
 14 15  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,071)
1071

>  <Formula> (1,071)
C20H16N2O3

>  <MolWeight> (1,071)
332.35264

>  <PCAT_CMPD_ID> (1,071)
WAY-308950

>  <CNC_ID> (1,071)
359421803

>  <transfer_container_id> (1,071)
PTN000000074

>  <COMPOUND_NUMBER> (1,071)
WAY-308950

>  <BAR_CODE_NO> (1,071)
3912972

>  <LOCATION_CODE> (1,071)
PTNCS

>  <AMOUNT_CURRENT> (1,071)
33.3

$$$$
WAY-308960
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.3962   -0.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3686   -0.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0168    0.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3927   -1.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3686    0.8178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099   -1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3927    1.1420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0789    0.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3479   -1.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306    1.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1306    1.3178    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0582   -0.8580    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1686    0.1937    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038    0.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    1.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5038   -0.2822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3866    0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3866   -0.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314   -0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832    0.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832   -0.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073   -0.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211   -1.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  8 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
 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
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,072)
1072

>  <Formula> (1,072)
C17H18F3N3O

>  <MolWeight> (1,072)
337.3395296

>  <PCAT_CMPD_ID> (1,072)
WAY-308960

>  <CNC_ID> (1,072)
359421813

>  <transfer_container_id> (1,072)
PTN000000074

>  <COMPOUND_NUMBER> (1,072)
WAY-308960

>  <BAR_CODE_NO> (1,072)
3912982

>  <LOCATION_CODE> (1,072)
PTNCS

>  <AMOUNT_CURRENT> (1,072)
33.3

$$$$
WAY-308963
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0828   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -1.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621    1.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5621    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207   -2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828   -0.6069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5621    0.5207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414    1.4103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    1.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8172   -0.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    0.6310    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
    2.5586   -0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1690    1.1621    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
  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
 10 15  1  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  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  2  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,073)
1073

>  <Formula> (1,073)
C16H15ClF3N3O

>  <MolWeight> (1,073)
357.7580096

>  <PCAT_CMPD_ID> (1,073)
WAY-308963

>  <CNC_ID> (1,073)
359421816

>  <transfer_container_id> (1,073)
PTN000000074

>  <COMPOUND_NUMBER> (1,073)
WAY-308963

>  <BAR_CODE_NO> (1,073)
3912985

>  <LOCATION_CODE> (1,073)
PTNCS

>  <AMOUNT_CURRENT> (1,073)
33.5

$$$$
WAY-308967
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3862   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828   -0.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -1.0759    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
    1.3517    1.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -0.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -2.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    2.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4690   -2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    1.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -3.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2069   -3.0276    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    2.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690    2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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
  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
 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
 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
  7  9  1  0  0  0  0
 18 21  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,074)
1074

>  <Formula> (1,074)
C18H13BrN2O3

>  <MolWeight> (1,074)
385.21142

>  <PCAT_CMPD_ID> (1,074)
WAY-308967

>  <CNC_ID> (1,074)
359421820

>  <transfer_container_id> (1,074)
PTN000000074

>  <COMPOUND_NUMBER> (1,074)
WAY-308967

>  <BAR_CODE_NO> (1,074)
3912989

>  <LOCATION_CODE> (1,074)
PTNCS

>  <AMOUNT_CURRENT> (1,074)
33.5

$$$$
WAY-308977
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.6125    0.5500    0.0000 N   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
   -2.4708    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.9167    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
    3.9375   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -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  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 13  1  0  0  0  0
 10  9  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
 15  6  1  0  0  0  0
 16 27  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  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 19  1  0  0  0  0
 25 29  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28 15  1  0  0  0  0
 29 28  1  0  0  0  0
 30 24  1  0  0  0  0
  5  6  1  0  0  0  0
 16 26  1  0  0  0  0
  9 14  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,075)
1075

>  <Formula> (1,075)
C20H29N7O3

>  <MolWeight> (1,075)
415.48936

>  <PCAT_CMPD_ID> (1,075)
WAY-308977

>  <CNC_ID> (1,075)
359421830

>  <transfer_container_id> (1,075)
PTN000000074

>  <COMPOUND_NUMBER> (1,075)
WAY-308977

>  <BAR_CODE_NO> (1,075)
3913000

>  <LOCATION_CODE> (1,075)
PTNCS

>  <AMOUNT_CURRENT> (1,075)
33.5

$$$$
WAY-308979
csChFnd80/11182011152D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.1552   -0.3448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4138    0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759   -0.6552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    0.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    0.5552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0069   -0.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862    0.2345    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
   -2.5448    0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379    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  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
  9 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
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,076)
1076

>  <Formula> (1,076)
C10H17NO2S

>  <MolWeight> (1,076)
215.31248

>  <PCAT_CMPD_ID> (1,076)
WAY-308979

>  <CNC_ID> (1,076)
359421832

>  <transfer_container_id> (1,076)
PTN000000074

>  <COMPOUND_NUMBER> (1,076)
WAY-308979

>  <BAR_CODE_NO> (1,076)
3913003

>  <LOCATION_CODE> (1,076)
PTNCS

>  <AMOUNT_CURRENT> (1,076)
33

$$$$
WAY-309041
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4764   -0.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384   -0.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8902   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902    0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419    0.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419   -1.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419   -0.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557    0.8727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9074    1.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4177    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8202   -0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374    0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2305    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    0.1313    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8995    0.1313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    0.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581   -0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3064    0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3064   -0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1581    0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1305   -0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5443    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 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> (1,077)
1077

>  <Formula> (1,077)
C19H20N2O5S

>  <MolWeight> (1,077)
388.4375

>  <PCAT_CMPD_ID> (1,077)
WAY-309041

>  <CNC_ID> (1,077)
359421894

>  <transfer_container_id> (1,077)
PTN000000074

>  <COMPOUND_NUMBER> (1,077)
WAY-309041

>  <BAR_CODE_NO> (1,077)
3913081

>  <LOCATION_CODE> (1,077)
PTNCS

>  <AMOUNT_CURRENT> (1,077)
33.4

$$$$
WAY-309043
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7931    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6724   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -1.2310    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    0.2897    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9621    0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    0.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.7966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  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
 12 15  1  0  0  0  0
 12 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  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,078)
1078

>  <Formula> (1,078)
C13H6Br2N2O3S

>  <MolWeight> (1,078)
430.07134

>  <PCAT_CMPD_ID> (1,078)
WAY-309043

>  <CNC_ID> (1,078)
359421896

>  <transfer_container_id> (1,078)
PTN000000074

>  <COMPOUND_NUMBER> (1,078)
WAY-309043

>  <BAR_CODE_NO> (1,078)
3913085

>  <LOCATION_CODE> (1,078)
PTNCS

>  <AMOUNT_CURRENT> (1,078)
33.6

$$$$
WAY-309067-A
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.2172    1.0586    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
   -0.2138    1.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    3.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -0.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    3.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966    4.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -3.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793   -4.7483    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  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  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
 24 25  1  0  0  0  0
 25 26  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  1  0  0  0  0
M  END
>  <Mol_ID> (1,079)
1079

>  <Formula> (1,079)
C20H23N5O

>  <MolWeight> (1,079)
349.42952

>  <PCAT_CMPD_ID> (1,079)
WAY-309067-A

>  <CNC_ID> (1,079)
359421920

>  <transfer_container_id> (1,079)
PTN000000074

>  <COMPOUND_NUMBER> (1,079)
WAY-309067-A

>  <BAR_CODE_NO> (1,079)
3913110

>  <LOCATION_CODE> (1,079)
PTNCS

>  <AMOUNT_CURRENT> (1,079)
33.8

$$$$
WAY-309070
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.2343    0.1895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2308    0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6308    0.2032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1899    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4692   -1.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4899    1.3998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6343   -1.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2036    0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9036   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791   -1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6481   -2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9174    1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6209    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6209    0.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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
 17 19  2  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,080)
1080

>  <Formula> (1,080)
C15H13N3O

>  <MolWeight> (1,080)
251.28322

>  <PCAT_CMPD_ID> (1,080)
WAY-309070

>  <CNC_ID> (1,080)
359421923

>  <transfer_container_id> (1,080)
PTN000000074

>  <COMPOUND_NUMBER> (1,080)
WAY-309070

>  <BAR_CODE_NO> (1,080)
3913113

>  <LOCATION_CODE> (1,080)
PTNCS

>  <AMOUNT_CURRENT> (1,080)
33.1

$$$$
WAY-309080
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1623    0.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    0.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826   -0.3640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1998    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3140   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515    0.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    0.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550   -0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623   -0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791    0.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6312   -0.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5791   -0.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2174    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6619   -1.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2998    0.3325    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
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,081)
1081

>  <Formula> (1,081)
C14H15NO3

>  <MolWeight> (1,081)
245.2738

>  <PCAT_CMPD_ID> (1,081)
WAY-309080

>  <CNC_ID> (1,081)
359421933

>  <transfer_container_id> (1,081)
PTN000000074

>  <COMPOUND_NUMBER> (1,081)
WAY-309080

>  <BAR_CODE_NO> (1,081)
3913125

>  <LOCATION_CODE> (1,081)
PTNCS

>  <AMOUNT_CURRENT> (1,081)
33.3

$$$$
WAY-309088
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.9831    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9831   -0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934    0.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934   -0.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831    0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1348    0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831   -0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0313    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169    0.5239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135    0.5239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652    1.6515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135   -0.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652   -0.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652   -1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135   -1.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
  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> (1,082)
1082

>  <Formula> (1,082)
C15H14N2O3

>  <MolWeight> (1,082)
270.28326

>  <PCAT_CMPD_ID> (1,082)
WAY-309088

>  <CNC_ID> (1,082)
359421940

>  <transfer_container_id> (1,082)
PTN000000074

>  <COMPOUND_NUMBER> (1,082)
WAY-309088

>  <BAR_CODE_NO> (1,082)
3913134

>  <LOCATION_CODE> (1,082)
PTNCS

>  <AMOUNT_CURRENT> (1,082)
33.7

$$$$
WAY-309107
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8590    0.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1970   -0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720   -0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5142    0.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1970   -1.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1970    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    0.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720   -1.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5142    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521   -0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5142   -2.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -2.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    3.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521   -1.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1548    3.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -3.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5272    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1272   -4.6858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4720   -4.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5272    0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8479   -0.0617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789   -0.0617    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  2  0  0  0  0
  7 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
 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  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 14  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,083)
1083

>  <Formula> (1,083)
C17H12O8

>  <MolWeight> (1,083)
344.27238

>  <PCAT_CMPD_ID> (1,083)
WAY-309107

>  <CNC_ID> (1,083)
359421959

>  <transfer_container_id> (1,083)
PTN000000074

>  <COMPOUND_NUMBER> (1,083)
WAY-309107

>  <BAR_CODE_NO> (1,083)
3913158

>  <LOCATION_CODE> (1,083)
PTNCS

>  <AMOUNT_CURRENT> (1,083)
33.4

$$$$
WAY-309108
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0811    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880   -0.0689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397    1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845    0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880   -1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8328    0.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5362    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3431   -0.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8638   -1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2190    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3983    3.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500   -0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8569    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948   -2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8535   -2.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1948   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8776   -3.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
  6  7  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,084)
1084

>  <Formula> (1,084)
C16H19N3O

>  <MolWeight> (1,084)
269.34156

>  <PCAT_CMPD_ID> (1,084)
WAY-309108

>  <CNC_ID> (1,084)
359421960

>  <transfer_container_id> (1,084)
PTN000000074

>  <COMPOUND_NUMBER> (1,084)
WAY-309108

>  <BAR_CODE_NO> (1,084)
3913159

>  <LOCATION_CODE> (1,084)
PTNCS

>  <AMOUNT_CURRENT> (1,084)
33.9

$$$$
WAY-309162
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.4552    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448    1.5860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -1.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -1.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931    0.5550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552    1.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    2.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -2.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448   -2.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -2.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    2.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -1.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,085)
1085

>  <Formula> (1,085)
C13H12N2O2

>  <MolWeight> (1,085)
228.24658

>  <PCAT_CMPD_ID> (1,085)
WAY-309162

>  <CNC_ID> (1,085)
359422014

>  <transfer_container_id> (1,085)
PTN000000074

>  <COMPOUND_NUMBER> (1,085)
WAY-309162

>  <BAR_CODE_NO> (1,085)
3913225

>  <LOCATION_CODE> (1,085)
PTNCS

>  <AMOUNT_CURRENT> (1,085)
33.6

$$$$
WAY-309163
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3312    5.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3312    6.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0735    6.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656    7.3056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0825    7.3186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    7.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4802    8.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2488    8.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    9.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8159    6.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8159    5.3278    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3993    6.7362    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6409    6.1528    0.0000 F   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  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
  5  7  1  0  0  0  0
  7 14  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  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
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,086)
1086

>  <Formula> (1,086)
C10H11F3N2O2

>  <MolWeight> (1,086)
248.2017496

>  <PCAT_CMPD_ID> (1,086)
WAY-309163

>  <CNC_ID> (1,086)
359422015

>  <transfer_container_id> (1,086)
PTN000000074

>  <COMPOUND_NUMBER> (1,086)
WAY-309163

>  <BAR_CODE_NO> (1,086)
3913226

>  <LOCATION_CODE> (1,086)
PTNCS

>  <AMOUNT_CURRENT> (1,086)
33.2

$$$$
WAY-309170-A
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2209   -0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623   -0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2209   -0.0381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308   -0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105   -0.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308    0.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2209   -0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623   -0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0308    0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    0.5308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5205    0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5205    0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688    0.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688    0.8101    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  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  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  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,087)
1087

>  <Formula> (1,087)
C13H19NO3

>  <MolWeight> (1,087)
237.29486

>  <PCAT_CMPD_ID> (1,087)
WAY-309170-A

>  <CNC_ID> (1,087)
359422022

>  <transfer_container_id> (1,087)
PTN000000074

>  <COMPOUND_NUMBER> (1,087)
WAY-309170-A

>  <BAR_CODE_NO> (1,087)
3913234

>  <LOCATION_CODE> (1,087)
PTNCS

>  <AMOUNT_CURRENT> (1,087)
33.3

$$$$
WAY-309197
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.9402    0.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9402   -0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643    0.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195    0.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -1.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195   -1.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816    0.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643    1.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5022    0.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816   -0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5022   -0.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184    0.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978    0.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184    1.6869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805    0.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978   -0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7598    0.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805   -1.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7598   -0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5357   -1.0338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3322   -0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 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
  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> (1,088)
1088

>  <Formula> (1,088)
C17H12O4

>  <MolWeight> (1,088)
280.27478

>  <PCAT_CMPD_ID> (1,088)
WAY-309197

>  <CNC_ID> (1,088)
359422049

>  <transfer_container_id> (1,088)
PTN000000074

>  <COMPOUND_NUMBER> (1,088)
WAY-309197

>  <BAR_CODE_NO> (1,088)
3913268

>  <LOCATION_CODE> (1,088)
PTNCS

>  <AMOUNT_CURRENT> (1,088)
33.5

$$$$
WAY-309200
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.5862   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172   -2.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.9724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -1.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069   -0.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8828    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621    0.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621    3.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    4.4966    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
 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
 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
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,089)
1089

>  <Formula> (1,089)
C21H19ClN2O3S

>  <MolWeight> (1,089)
414.90516

>  <PCAT_CMPD_ID> (1,089)
WAY-309200

>  <CNC_ID> (1,089)
359422052

>  <transfer_container_id> (1,089)
PTN000000074

>  <COMPOUND_NUMBER> (1,089)
WAY-309200

>  <BAR_CODE_NO> (1,089)
3913272

>  <LOCATION_CODE> (1,089)
PTNCS

>  <AMOUNT_CURRENT> (1,089)
33.4

$$$$
WAY-309232-A
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.9552    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379    1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    1.8310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414   -0.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    3.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -3.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103   -3.1483    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  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 12  2  0  0  0  0
  9 13  2  0  0  0  0
 15 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,090)
1090

>  <Formula> (1,090)
C18H18N4O2

>  <MolWeight> (1,090)
322.36112

>  <PCAT_CMPD_ID> (1,090)
WAY-309232-A

>  <CNC_ID> (1,090)
359422084

>  <transfer_container_id> (1,090)
PTN000000074

>  <COMPOUND_NUMBER> (1,090)
WAY-309232-A

>  <BAR_CODE_NO> (1,090)
3913312

>  <LOCATION_CODE> (1,090)
PTNCS

>  <AMOUNT_CURRENT> (1,090)
33.6

$$$$
WAY-309235-A
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3586    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    0.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379    1.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897    2.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -0.6379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034    3.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    1.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    3.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -2.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -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  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
 24 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> (1,091)
1091

>  <Formula> (1,091)
C19H16N4O2

>  <MolWeight> (1,091)
332.35594

>  <PCAT_CMPD_ID> (1,091)
WAY-309235-A

>  <CNC_ID> (1,091)
359422087

>  <transfer_container_id> (1,091)
PTN000000074

>  <COMPOUND_NUMBER> (1,091)
WAY-309235-A

>  <BAR_CODE_NO> (1,091)
3913315

>  <LOCATION_CODE> (1,091)
PTNCS

>  <AMOUNT_CURRENT> (1,091)
33.6

$$$$
WAY-309251
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.6958   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028   -0.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9112   -0.7738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9112   -0.0238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9112    1.4792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9112    2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6132    1.0682    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
  9 12  1  0  0  0  0
  6 11  2  0  0  0  0
  9 10  1  0  0  0  0
  8  9  2  0  0  0  0
  7  8  1  0  0  0  0
  6  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
 10  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  3  2  0  0  0  0
  1  2  1  0  0  0  0
  4  1  2  0  0  0  0
M  END
>  <Mol_ID> (1,092)
1092

>  <Formula> (1,092)
C9H7N3O3

>  <MolWeight> (1,092)
205.17018

>  <PCAT_CMPD_ID> (1,092)
WAY-309251

>  <CNC_ID> (1,092)
359422103

>  <transfer_container_id> (1,092)
PTN000000074

>  <COMPOUND_NUMBER> (1,092)
WAY-309251

>  <BAR_CODE_NO> (1,092)
3913339

>  <LOCATION_CODE> (1,092)
PTNCS

>  <AMOUNT_CURRENT> (1,092)
33.4

$$$$
WAY-309252
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.5968   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -0.7657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416    0.5067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588    0.2688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9347   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692    0.5067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7653    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1826    0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1895   -0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032    0.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032   -0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205    0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2412    0.2826    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  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> (1,093)
1093

>  <Formula> (1,093)
C9H7BrN4O

>  <MolWeight> (1,093)
267.08208

>  <PCAT_CMPD_ID> (1,093)
WAY-309252

>  <CNC_ID> (1,093)
359422104

>  <transfer_container_id> (1,093)
PTN000000074

>  <COMPOUND_NUMBER> (1,093)
WAY-309252

>  <BAR_CODE_NO> (1,093)
3913340

>  <LOCATION_CODE> (1,093)
PTNCS

>  <AMOUNT_CURRENT> (1,093)
33.5

$$$$
WAY-309261
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.0202    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0202    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685   -0.2483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202    0.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0202   -0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0202    1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5202   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0202   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685   -0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685   -1.1000    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  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
  9 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  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,094)
1094

>  <Formula> (1,094)
C19H22N2O

>  <MolWeight> (1,094)
294.39078

>  <PCAT_CMPD_ID> (1,094)
WAY-309261

>  <CNC_ID> (1,094)
359422113

>  <transfer_container_id> (1,094)
PTN000000074

>  <COMPOUND_NUMBER> (1,094)
WAY-309261

>  <BAR_CODE_NO> (1,094)
3913352

>  <LOCATION_CODE> (1,094)
PTNCS

>  <AMOUNT_CURRENT> (1,094)
33.4

$$$$
WAY-309266
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.8138   -2.0691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -2.7725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -1.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -3.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -3.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310   -2.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6069   -0.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931   -1.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -0.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    0.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138   -0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    1.0068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828   -0.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5759   -0.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897    1.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    2.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    3.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    2.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    4.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1862    3.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    4.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1069    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,095)
1095

>  <Formula> (1,095)
C21H26N2O3S

>  <MolWeight> (1,095)
386.50774

>  <PCAT_CMPD_ID> (1,095)
WAY-309266

>  <CNC_ID> (1,095)
359422118

>  <transfer_container_id> (1,095)
PTN000000074

>  <COMPOUND_NUMBER> (1,095)
WAY-309266

>  <BAR_CODE_NO> (1,095)
3913358

>  <LOCATION_CODE> (1,095)
PTNCS

>  <AMOUNT_CURRENT> (1,095)
33.4

$$$$
WAY-309268
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8345    0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -0.3966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379   -1.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897   -0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897   -1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    0.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483    0.8552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2172    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5379    0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7621    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   -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  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  1  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
 14 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,096)
1096

>  <Formula> (1,096)
C18H26N2O4S

>  <MolWeight> (1,096)
366.47504

>  <PCAT_CMPD_ID> (1,096)
WAY-309268

>  <CNC_ID> (1,096)
359422120

>  <transfer_container_id> (1,096)
PTN000000074

>  <COMPOUND_NUMBER> (1,096)
WAY-309268

>  <BAR_CODE_NO> (1,096)
3913360

>  <LOCATION_CODE> (1,096)
PTNCS

>  <AMOUNT_CURRENT> (1,096)
33.7

$$$$
WAY-309283
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.2724   -0.4724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0138   -0.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0517    0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    1.3172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2966   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    1.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0517   -2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0241   -2.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.6690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -3.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862   -3.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    3.0172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4138    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966    2.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5138   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1483   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0345    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0724    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  1  0  0  0  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
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 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
 11 18  2  0  0  0  0
 12 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
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
  5  7  1  0  0  0  0
 11 12  1  0  0  0  0
 16 17  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,097)
1097

>  <Formula> (1,097)
C18H18N2O3S

>  <MolWeight> (1,097)
342.41212

>  <PCAT_CMPD_ID> (1,097)
WAY-309283

>  <CNC_ID> (1,097)
359422135

>  <transfer_container_id> (1,097)
PTN000000074

>  <COMPOUND_NUMBER> (1,097)
WAY-309283

>  <BAR_CODE_NO> (1,097)
3913379

>  <LOCATION_CODE> (1,097)
PTNCS

>  <AMOUNT_CURRENT> (1,097)
33.6

$$$$
WAY-309291
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3936   -0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0961    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0961   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0961    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0961   -1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936   -1.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3936    1.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143   -2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547    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  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
 11 15  1  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
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,098)
1098

>  <Formula> (1,098)
C19H18N2O

>  <MolWeight> (1,098)
290.35902

>  <PCAT_CMPD_ID> (1,098)
WAY-309291

>  <CNC_ID> (1,098)
359422143

>  <transfer_container_id> (1,098)
PTN000000074

>  <COMPOUND_NUMBER> (1,098)
WAY-309291

>  <BAR_CODE_NO> (1,098)
3913388

>  <LOCATION_CODE> (1,098)
PTNCS

>  <AMOUNT_CURRENT> (1,098)
33.2

$$$$
WAY-309297
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0103    0.9486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -1.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    3.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069   -0.4652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379   -1.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448    0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5034   -2.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3103   -0.5342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207    1.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862   -2.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9241   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8759   -2.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9793   -3.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  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
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
  6  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,099)
1099

>  <Formula> (1,099)
C17H30N2O2

>  <MolWeight> (1,099)
294.4323

>  <PCAT_CMPD_ID> (1,099)
WAY-309297

>  <CNC_ID> (1,099)
359422149

>  <transfer_container_id> (1,099)
PTN000000074

>  <COMPOUND_NUMBER> (1,099)
WAY-309297

>  <BAR_CODE_NO> (1,099)
3913396

>  <LOCATION_CODE> (1,099)
PTNCS

>  <AMOUNT_CURRENT> (1,099)
33.6

$$$$
WAY-309299
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1651    0.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245   -0.3176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3245    0.4341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142    1.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755    1.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142   -1.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    3.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349   -2.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755    3.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0142   -2.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -2.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4548   -1.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134   -2.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3651   -1.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444   -2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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  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
  8  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,100)
1100

>  <Formula> (1,100)
C13H10N2O3S

>  <MolWeight> (1,100)
274.2951

>  <PCAT_CMPD_ID> (1,100)
WAY-309299

>  <CNC_ID> (1,100)
359422151

>  <transfer_container_id> (1,100)
PTN000000074

>  <COMPOUND_NUMBER> (1,100)
WAY-309299

>  <BAR_CODE_NO> (1,100)
3913399

>  <LOCATION_CODE> (1,100)
PTNCS

>  <AMOUNT_CURRENT> (1,100)
33.4

$$$$
WAY-309301
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7207   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -1.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    1.7741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -2.5328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -2.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621   -1.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    2.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -2.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448   -0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    3.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448   -1.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    2.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172    1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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  2  0  0  0  0
  8  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,101)
1101

>  <Formula> (1,101)
C16H22N2O

>  <MolWeight> (1,101)
258.35868

>  <PCAT_CMPD_ID> (1,101)
WAY-309301

>  <CNC_ID> (1,101)
359422153

>  <transfer_container_id> (1,101)
PTN000000074

>  <COMPOUND_NUMBER> (1,101)
WAY-309301

>  <BAR_CODE_NO> (1,101)
3913402

>  <LOCATION_CODE> (1,101)
PTNCS

>  <AMOUNT_CURRENT> (1,101)
33.7

$$$$
WAY-309310
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.5615   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1373   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1373    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4696   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006   -1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1373    1.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1489   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868    0.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868   -0.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1489    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 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
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,102)
1102

>  <Formula> (1,102)
C13H17NO3

>  <MolWeight> (1,102)
235.27898

>  <PCAT_CMPD_ID> (1,102)
WAY-309310

>  <CNC_ID> (1,102)
359422162

>  <transfer_container_id> (1,102)
PTN000000074

>  <COMPOUND_NUMBER> (1,102)
WAY-309310

>  <BAR_CODE_NO> (1,102)
3913411

>  <LOCATION_CODE> (1,102)
PTNCS

>  <AMOUNT_CURRENT> (1,102)
33.9

$$$$
WAY-309316
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -1.4404    0.4031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7404    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4404   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1404    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7404   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3887    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0887   -0.7486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7887   -0.7486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1404   -0.3693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    0.4031    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3887   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0404    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6355    0.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0404   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3493    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3493   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 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
  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> (1,103)
1103

>  <Formula> (1,103)
C15H11N3S2

>  <MolWeight> (1,103)
297.39794

>  <PCAT_CMPD_ID> (1,103)
WAY-309316

>  <CNC_ID> (1,103)
359422168

>  <transfer_container_id> (1,103)
PTN000000074

>  <COMPOUND_NUMBER> (1,103)
WAY-309316

>  <BAR_CODE_NO> (1,103)
3913417

>  <LOCATION_CODE> (1,103)
PTNCS

>  <AMOUNT_CURRENT> (1,103)
33.3

$$$$
WAY-309318
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.5299    0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437    0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5299   -0.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2678    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0437   -0.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2713    0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7885   -0.9343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2678   -0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0092    0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4942    0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2782    1.7416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0092   -0.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597    0.8347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4942   -0.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8597    0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0494   -0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390   -0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494   -0.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6804   -1.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 20 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> (1,104)
1104

>  <Formula> (1,104)
C17H14N2O2

>  <MolWeight> (1,104)
278.30526

>  <PCAT_CMPD_ID> (1,104)
WAY-309318

>  <CNC_ID> (1,104)
359422170

>  <transfer_container_id> (1,104)
PTN000000074

>  <COMPOUND_NUMBER> (1,104)
WAY-309318

>  <BAR_CODE_NO> (1,104)
3913419

>  <LOCATION_CODE> (1,104)
PTNCS

>  <AMOUNT_CURRENT> (1,104)
33.3

$$$$
WAY-309320
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2793   -1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379   -2.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241   -2.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    0.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    2.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1828    1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    1.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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  1  0  0  0  0
  9 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,105)
1105

>  <Formula> (1,105)
C18H16N2O3

>  <MolWeight> (1,105)
308.33124

>  <PCAT_CMPD_ID> (1,105)
WAY-309320

>  <CNC_ID> (1,105)
359422172

>  <transfer_container_id> (1,105)
PTN000000074

>  <COMPOUND_NUMBER> (1,105)
WAY-309320

>  <BAR_CODE_NO> (1,105)
3913421

>  <LOCATION_CODE> (1,105)
PTNCS

>  <AMOUNT_CURRENT> (1,105)
33.6

$$$$
WAY-309331
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.2503    0.9476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2503    0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9086    1.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503    0.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9086   -0.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503    0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003   -0.1816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9086    2.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6914   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9789   -0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789   -0.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289    0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9789   -0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289   -1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247   -1.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747   -0.9274    0.0000 C   0  0  0  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  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 14  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 11  1  0  0  0  0
 17 16  1  0  0  0  0
  6  5  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,106)
1106

>  <Formula> (1,106)
C12H12N2O2S

>  <MolWeight> (1,106)
248.30088

>  <PCAT_CMPD_ID> (1,106)
WAY-309331

>  <CNC_ID> (1,106)
359422183

>  <transfer_container_id> (1,106)
PTN000000074

>  <COMPOUND_NUMBER> (1,106)
WAY-309331

>  <BAR_CODE_NO> (1,106)
3913433

>  <LOCATION_CODE> (1,106)
PTNCS

>  <AMOUNT_CURRENT> (1,106)
33

$$$$
WAY-309341
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2517   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -0.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    1.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3897   -1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    1.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 15 20  1  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
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,107)
1107

>  <Formula> (1,107)
C18H20N4O3

>  <MolWeight> (1,107)
340.3764

>  <PCAT_CMPD_ID> (1,107)
WAY-309341

>  <CNC_ID> (1,107)
359422193

>  <transfer_container_id> (1,107)
PTN000000074

>  <COMPOUND_NUMBER> (1,107)
WAY-309341

>  <BAR_CODE_NO> (1,107)
3913443

>  <LOCATION_CODE> (1,107)
PTNCS

>  <AMOUNT_CURRENT> (1,107)
33.2

$$$$
WAY-309377
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4862   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    0.1828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0172   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379   -1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    1.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    0.0759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    1.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    0.5345    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  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
 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
  7 11  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,108)
1108

>  <Formula> (1,108)
C9H9N3O2S2

>  <MolWeight> (1,108)
255.31666

>  <PCAT_CMPD_ID> (1,108)
WAY-309377

>  <CNC_ID> (1,108)
359422229

>  <transfer_container_id> (1,108)
PTN000000074

>  <COMPOUND_NUMBER> (1,108)
WAY-309377

>  <BAR_CODE_NO> (1,108)
3913479

>  <LOCATION_CODE> (1,108)
PTNCS

>  <AMOUNT_CURRENT> (1,108)
33.1

$$$$
WAY-309381
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0379    1.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4276   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    2.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -0.7793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -0.3207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0724   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2207   -2.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207   -2.7207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6586    1.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0207   -3.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -3.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    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  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
  5  7  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
C13H13NO3S3

>  <MolWeight> (1,109)
327.44222

>  <PCAT_CMPD_ID> (1,109)
WAY-309381

>  <CNC_ID> (1,109)
359422233

>  <transfer_container_id> (1,109)
PTN000000074

>  <COMPOUND_NUMBER> (1,109)
WAY-309381

>  <BAR_CODE_NO> (1,109)
3913485

>  <LOCATION_CODE> (1,109)
PTNCS

>  <AMOUNT_CURRENT> (1,109)
33.7

$$$$
WAY-309382
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5245   -1.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5659    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8858   -2.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763   -2.4651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8858    0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -1.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3832   -1.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3452    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7935   -2.4651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7065    0.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    0.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7065    2.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1168    0.0452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4245    0.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763    2.4349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962    1.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4245    2.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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
  6  8  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,110)
1110

>  <Formula> (1,110)
C13H11NO3S

>  <MolWeight> (1,110)
261.29634

>  <PCAT_CMPD_ID> (1,110)
WAY-309382

>  <CNC_ID> (1,110)
359422234

>  <transfer_container_id> (1,110)
PTN000000074

>  <COMPOUND_NUMBER> (1,110)
WAY-309382

>  <BAR_CODE_NO> (1,110)
3913486

>  <LOCATION_CODE> (1,110)
PTNCS

>  <AMOUNT_CURRENT> (1,110)
33.3

$$$$
WAY-309398
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7172   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    0.0207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2138   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -1.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345   -2.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -2.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276   -0.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    2.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    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  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
  7 13  1  0  0  0  0
  8 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
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,111)
1111

>  <Formula> (1,111)
C17H18N2O

>  <MolWeight> (1,111)
266.33762

>  <PCAT_CMPD_ID> (1,111)
WAY-309398

>  <CNC_ID> (1,111)
359422250

>  <transfer_container_id> (1,111)
PTN000000074

>  <COMPOUND_NUMBER> (1,111)
WAY-309398

>  <BAR_CODE_NO> (1,111)
3913504

>  <LOCATION_CODE> (1,111)
PTNCS

>  <AMOUNT_CURRENT> (1,111)
33.4

$$$$
WAY-309404
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.4310   -1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.0379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8690   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -2.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069    0.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    1.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -2.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9966   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655    1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552    2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7172   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    2.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4310   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8759    2.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    3.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8759    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  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  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  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
 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
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 23 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,112)
1112

>  <Formula> (1,112)
C21H22N2O5

>  <MolWeight> (1,112)
382.40978

>  <PCAT_CMPD_ID> (1,112)
WAY-309404

>  <CNC_ID> (1,112)
359422256

>  <transfer_container_id> (1,112)
PTN000000074

>  <COMPOUND_NUMBER> (1,112)
WAY-309404

>  <BAR_CODE_NO> (1,112)
3913510

>  <LOCATION_CODE> (1,112)
PTNCS

>  <AMOUNT_CURRENT> (1,112)
33.7

$$$$
WAY-309420
csChFnd80/11182011152D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.2517   -0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    0.8759    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2138    1.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -2.4862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6517   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8517   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    1.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310   -0.4448    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
 12 14  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,113)
1113

>  <Formula> (1,113)
C8H10N2O3S

>  <MolWeight> (1,113)
214.2416

>  <PCAT_CMPD_ID> (1,113)
WAY-309420

>  <CNC_ID> (1,113)
359422272

>  <transfer_container_id> (1,113)
PTN000000074

>  <COMPOUND_NUMBER> (1,113)
WAY-309420

>  <BAR_CODE_NO> (1,113)
3913526

>  <LOCATION_CODE> (1,113)
PTNCS

>  <AMOUNT_CURRENT> (1,113)
33.5

$$$$
WAY-309429
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0310    0.1862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6586    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    0.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1897   -1.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4414    0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1586   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4966   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1793   -1.9897    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  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
 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
 16 17  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,114)
1114

>  <Formula> (1,114)
C13H15NO3

>  <MolWeight> (1,114)
233.2631

>  <PCAT_CMPD_ID> (1,114)
WAY-309429

>  <CNC_ID> (1,114)
359422281

>  <transfer_container_id> (1,114)
PTN000000074

>  <COMPOUND_NUMBER> (1,114)
WAY-309429

>  <BAR_CODE_NO> (1,114)
3913539

>  <LOCATION_CODE> (1,114)
PTNCS

>  <AMOUNT_CURRENT> (1,114)
33.5

$$$$
WAY-309500
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.2966   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483   -0.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483   -0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.7828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8931   -0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931   -0.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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
  8  9  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,115)
1115

>  <Formula> (1,115)
C13H17N3S

>  <MolWeight> (1,115)
247.35918

>  <PCAT_CMPD_ID> (1,115)
WAY-309500

>  <CNC_ID> (1,115)
359422352

>  <transfer_container_id> (1,115)
PTN000000074

>  <COMPOUND_NUMBER> (1,115)
WAY-309500

>  <BAR_CODE_NO> (1,115)
3913619

>  <LOCATION_CODE> (1,115)
PTNCS

>  <AMOUNT_CURRENT> (1,115)
33.4

$$$$
WAY-309521
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.8000   -0.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -0.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2379    0.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -1.1040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    0.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -1.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    0.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241    0.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -1.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483    0.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    0.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241    0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -0.5420    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172    1.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    0.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -0.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    0.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5517    0.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276   -0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8759   -0.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    1.0373    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  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
 25 28  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> (1,116)
1116

>  <Formula> (1,116)
C21H19Cl2N3O2

>  <MolWeight> (1,116)
416.30046

>  <PCAT_CMPD_ID> (1,116)
WAY-309521

>  <CNC_ID> (1,116)
359422373

>  <transfer_container_id> (1,116)
PTN000000074

>  <COMPOUND_NUMBER> (1,116)
WAY-309521

>  <BAR_CODE_NO> (1,116)
3913641

>  <LOCATION_CODE> (1,116)
PTNCS

>  <AMOUNT_CURRENT> (1,116)
33.5

$$$$
WAY-309523-A
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.5621    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3862    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5621   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9759   -0.5862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3862    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138    0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4448   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6862    0.1241    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
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  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
 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
 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,117)
1117

>  <Formula> (1,117)
C19H31NO2

>  <MolWeight> (1,117)
305.45494

>  <PCAT_CMPD_ID> (1,117)
WAY-309523-A

>  <CNC_ID> (1,117)
359422375

>  <transfer_container_id> (1,117)
PTN000000074

>  <COMPOUND_NUMBER> (1,117)
WAY-309523-A

>  <BAR_CODE_NO> (1,117)
3913645

>  <LOCATION_CODE> (1,117)
PTNCS

>  <AMOUNT_CURRENT> (1,117)
33

$$$$
WAY-309530
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1241    0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345    0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.8736    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -0.8736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    0.3264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759    1.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2345   -0.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448    0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9448   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172   -0.8840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    1.1850    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
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  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> (1,118)
1118

>  <Formula> (1,118)
C12H11N3OS2

>  <MolWeight> (1,118)
277.36524

>  <PCAT_CMPD_ID> (1,118)
WAY-309530

>  <CNC_ID> (1,118)
359422382

>  <transfer_container_id> (1,118)
PTN000000074

>  <COMPOUND_NUMBER> (1,118)
WAY-309530

>  <BAR_CODE_NO> (1,118)
3913652

>  <LOCATION_CODE> (1,118)
PTNCS

>  <AMOUNT_CURRENT> (1,118)
33.1

$$$$
WAY-309575
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2897   -0.0138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2379   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    1.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241    2.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -2.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -2.4379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    1.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7655    3.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4379    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345    2.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2069    1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103   -2.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2586   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828   -1.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9517    0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5966    2.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724   -2.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9379   -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  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
 23 27  1  0  0  0  0
 23 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  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> (1,119)
1119

>  <Formula> (1,119)
C21H18ClN3O5

>  <MolWeight> (1,119)
427.83772

>  <PCAT_CMPD_ID> (1,119)
WAY-309575

>  <CNC_ID> (1,119)
359422427

>  <transfer_container_id> (1,119)
PTN000000074

>  <COMPOUND_NUMBER> (1,119)
WAY-309575

>  <BAR_CODE_NO> (1,119)
3913710

>  <LOCATION_CODE> (1,119)
PTNCS

>  <AMOUNT_CURRENT> (1,119)
33.8

$$$$
WAY-309576
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2207   -0.3241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1690   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.8828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    1.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -2.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -2.7483    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    2.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9517   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552    3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1897   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9517   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000   -0.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6276    2.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724    4.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0069   -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  1  0  0  0  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
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 27 30  1  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> (1,120)
1120

>  <Formula> (1,120)
C21H18ClN3O5

>  <MolWeight> (1,120)
427.83772

>  <PCAT_CMPD_ID> (1,120)
WAY-309576

>  <CNC_ID> (1,120)
359422428

>  <transfer_container_id> (1,120)
PTN000000074

>  <COMPOUND_NUMBER> (1,120)
WAY-309576

>  <BAR_CODE_NO> (1,120)
3913711

>  <LOCATION_CODE> (1,120)
PTNCS

>  <AMOUNT_CURRENT> (1,120)
33.7

$$$$
WAY-309579
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.7448    0.0069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9655    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    0.0069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    0.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655   -0.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1793    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2207   -0.6379    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
  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
  7 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  7  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,121)
1121

>  <Formula> (1,121)
C14H19NO4S

>  <MolWeight> (1,121)
297.36996

>  <PCAT_CMPD_ID> (1,121)
WAY-309579

>  <CNC_ID> (1,121)
359422431

>  <transfer_container_id> (1,121)
PTN000000074

>  <COMPOUND_NUMBER> (1,121)
WAY-309579

>  <BAR_CODE_NO> (1,121)
3913716

>  <LOCATION_CODE> (1,121)
PTNCS

>  <AMOUNT_CURRENT> (1,121)
33.4

$$$$
WAY-309603
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.0310   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    0.3897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4483   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9759    0.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    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  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
  7 11  2  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
 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
 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
  8  9  2  0  0  0  0
 16 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,122)
1122

>  <Formula> (1,122)
C20H25N3OS

>  <MolWeight> (1,122)
355.497

>  <PCAT_CMPD_ID> (1,122)
WAY-309603

>  <CNC_ID> (1,122)
359422455

>  <transfer_container_id> (1,122)
PTN000000074

>  <COMPOUND_NUMBER> (1,122)
WAY-309603

>  <BAR_CODE_NO> (1,122)
3913740

>  <LOCATION_CODE> (1,122)
PTNCS

>  <AMOUNT_CURRENT> (1,122)
33.5

$$$$
WAY-309617
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.0558    0.7171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3058    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2141    1.0921    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109    0.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859   -0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2641    2.0421    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609    1.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109   -1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3141   -0.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609   -1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2141    0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359   -0.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859   -1.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359   -1.8704    0.0000 C   0  0  0  0  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  6  2  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10 13  2  0  0  0  0
 11  4  2  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  7  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
 14  5  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,123)
1123

>  <Formula> (1,123)
C12H13NO3S2

>  <MolWeight> (1,123)
283.36652

>  <PCAT_CMPD_ID> (1,123)
WAY-309617

>  <CNC_ID> (1,123)
359422469

>  <transfer_container_id> (1,123)
PTN000000074

>  <COMPOUND_NUMBER> (1,123)
WAY-309617

>  <BAR_CODE_NO> (1,123)
3913756

>  <LOCATION_CODE> (1,123)
PTNCS

>  <AMOUNT_CURRENT> (1,123)
33.5

$$$$
WAY-309619
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.2309   -1.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5656   -0.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0553   -1.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    0.1139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447   -1.1240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5656   -2.2068    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -2.3620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4898    0.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656   -0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447   -1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691    1.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    1.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309    1.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    1.7760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691    2.0760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    2.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
 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
  6  9  1  0  0  0  0
 10 15  2  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,124)
1124

>  <Formula> (1,124)
C17H17ClN4S

>  <MolWeight> (1,124)
344.86168

>  <PCAT_CMPD_ID> (1,124)
WAY-309619

>  <CNC_ID> (1,124)
359422471

>  <transfer_container_id> (1,124)
PTN000000074

>  <COMPOUND_NUMBER> (1,124)
WAY-309619

>  <BAR_CODE_NO> (1,124)
3913758

>  <LOCATION_CODE> (1,124)
PTNCS

>  <AMOUNT_CURRENT> (1,124)
33.2

$$$$
WAY-340020
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.3042   -9.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -8.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -7.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -9.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -9.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750  -10.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9917  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792  -10.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917  -11.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417  -11.7500    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  3  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 10  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 15  2  0  0  0  0
 15 13  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  8  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
  4  5  1  0  0  0  0
 21 22  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,125)
1125

>  <Formula> (1,125)
C16H20ClN3OS

>  <MolWeight> (1,125)
337.8675

>  <PCAT_CMPD_ID> (1,125)
WAY-340020

>  <CNC_ID> (1,125)
359425238

>  <transfer_container_id> (1,125)
PTN000000074

>  <COMPOUND_NUMBER> (1,125)
WAY-340020

>  <BAR_CODE_NO> (1,125)
2551179

>  <LOCATION_CODE> (1,125)
PTNCS

>  <AMOUNT_CURRENT> (1,125)
33

$$$$
WAY-340021
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.4125   -8.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -7.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -7.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -7.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -8.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -7.4667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667  -11.1167    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
    8.3167  -10.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  1  1  0  0  0  0
 11  9  1  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 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 17  2  0  0  0  0
  5  3  1  0  0  0  0
  8 11  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,126)
1126

>  <Formula> (1,126)
C13H10BrN3OS

>  <MolWeight> (1,126)
336.207

>  <PCAT_CMPD_ID> (1,126)
WAY-340021

>  <CNC_ID> (1,126)
359425239

>  <transfer_container_id> (1,126)
PTN000000074

>  <COMPOUND_NUMBER> (1,126)
WAY-340021

>  <BAR_CODE_NO> (1,126)
2551216

>  <LOCATION_CODE> (1,126)
PTNCS

>  <AMOUNT_CURRENT> (1,126)
32.3

$$$$
WAY-340036
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.9500    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.0042    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
   -0.2500    0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    0.0125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    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  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  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  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
  8 11  2  0  0  0  0
  6  4  1  0  0  0  0
M  END
>  <Mol_ID> (1,127)
1127

>  <Formula> (1,127)
C10H8BrNS

>  <MolWeight> (1,127)
254.14622

>  <PCAT_CMPD_ID> (1,127)
WAY-340036

>  <CNC_ID> (1,127)
359425253

>  <transfer_container_id> (1,127)
PTN000000074

>  <COMPOUND_NUMBER> (1,127)
WAY-340036

>  <BAR_CODE_NO> (1,127)
2550506

>  <LOCATION_CODE> (1,127)
PTNCS

>  <AMOUNT_CURRENT> (1,127)
32.5

$$$$
WAY-340082-A
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0895    0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761    0.9348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550    0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140    0.4141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381    0.6693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761    1.4762    0.0000 O   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
   -1.0239    0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5550   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2761   -0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726   -0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4895   -0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239   -0.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968   -0.6135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4895   -0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9312   -1.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485   -1.2825    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  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
 13 17  2  0  0  0  0
 14 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
  9 12  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,128)
1128

>  <Formula> (1,128)
C16H20N2O2S

>  <MolWeight> (1,128)
304.4072

>  <PCAT_CMPD_ID> (1,128)
WAY-340082-A

>  <CNC_ID> (1,128)
359425298

>  <transfer_container_id> (1,128)
PTN000000074

>  <COMPOUND_NUMBER> (1,128)
WAY-340082-A

>  <BAR_CODE_NO> (1,128)
2552184

>  <LOCATION_CODE> (1,128)
PTNCS

>  <AMOUNT_CURRENT> (1,128)
32.2

$$$$
WAY-340085
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.4500    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    2.9958    0.0000 O   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
   -1.2833    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.6125    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  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 16  1  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 15  1  0  0  0  0
 17 14  1  0  0  0  0
  6  4  1  0  0  0  0
  8 10  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,129)
1129

>  <Formula> (1,129)
C12H15N3OS

>  <MolWeight> (1,129)
249.332

>  <PCAT_CMPD_ID> (1,129)
WAY-340085

>  <CNC_ID> (1,129)
359425301

>  <transfer_container_id> (1,129)
PTN000000074

>  <COMPOUND_NUMBER> (1,129)
WAY-340085

>  <BAR_CODE_NO> (1,129)
2552180

>  <LOCATION_CODE> (1,129)
PTNCS

>  <AMOUNT_CURRENT> (1,129)
29

$$$$
WAY-340086
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7243    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1519    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036    0.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485    1.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0274    0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515    1.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657   -0.2795    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4485   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6243    1.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5653   -0.1623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274    1.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243    1.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347    0.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515   -0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757   -0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653   -0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998   -1.5140    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998   -1.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860   -1.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 13 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,130)
1130

>  <Formula> (1,130)
C15H15NO3S2

>  <MolWeight> (1,130)
321.4145

>  <PCAT_CMPD_ID> (1,130)
WAY-340086

>  <CNC_ID> (1,130)
359425302

>  <transfer_container_id> (1,130)
PTN000000074

>  <COMPOUND_NUMBER> (1,130)
WAY-340086

>  <BAR_CODE_NO> (1,130)
2552298

>  <LOCATION_CODE> (1,130)
PTNCS

>  <AMOUNT_CURRENT> (1,130)
32.5

$$$$
WAY-340090
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5333    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.3458    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
   -1.9958    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.5000    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  3  2  0  0  0  0
 16  8  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
 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
 14 13  1  0  0  0  0
  2  4  2  0  0  0  0
 10  9  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,131)
1131

>  <Formula> (1,131)
C19H17N3OS

>  <MolWeight> (1,131)
335.42278

>  <PCAT_CMPD_ID> (1,131)
WAY-340090

>  <CNC_ID> (1,131)
359425306

>  <transfer_container_id> (1,131)
PTN000000074

>  <COMPOUND_NUMBER> (1,131)
WAY-340090

>  <BAR_CODE_NO> (1,131)
2552294

>  <LOCATION_CODE> (1,131)
PTNCS

>  <AMOUNT_CURRENT> (1,131)
32.8

$$$$
WAY-340229
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1125    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.9208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3958    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    2.0458    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
   -0.7500    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    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  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  0  0  0
 11 22  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  2  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  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21  7  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24  9  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  2  0  0  0  0
  4  9  2  0  0  0  0
 17 15  1  0  0  0  0
 23 11  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,132)
1132

>  <Formula> (1,132)
C21H22N2O3

>  <MolWeight> (1,132)
350.41098

>  <PCAT_CMPD_ID> (1,132)
WAY-340229

>  <CNC_ID> (1,132)
359425364

>  <transfer_container_id> (1,132)
PTN000000074

>  <COMPOUND_NUMBER> (1,132)
WAY-340229

>  <BAR_CODE_NO> (1,132)
2551084

>  <LOCATION_CODE> (1,132)
PTNCS

>  <AMOUNT_CURRENT> (1,132)
25.6

$$$$
WAY-340666
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.4833    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -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  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  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  9  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 13  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
  6  7  2  0  0  0  0
  5  8  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,133)
1133

>  <Formula> (1,133)
C14H12N2O2S

>  <MolWeight> (1,133)
272.32228

>  <PCAT_CMPD_ID> (1,133)
WAY-340666

>  <CNC_ID> (1,133)
359425675

>  <transfer_container_id> (1,133)
PTN000000074

>  <COMPOUND_NUMBER> (1,133)
WAY-340666

>  <BAR_CODE_NO> (1,133)
2550764

>  <LOCATION_CODE> (1,133)
PTNCS

>  <AMOUNT_CURRENT> (1,133)
32.7

$$$$
WAY-340668
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.8042   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.1250    0.0000 N   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
    1.0167   -1.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    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  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  2  1  0  0  0  0
  8  3  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  7  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
  9  7  2  0  0  0  0
  5  4  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,134)
1134

>  <Formula> (1,134)
C11H13N3S2

>  <MolWeight> (1,134)
251.37102

>  <PCAT_CMPD_ID> (1,134)
WAY-340668

>  <CNC_ID> (1,134)
359425677

>  <transfer_container_id> (1,134)
PTN000000074

>  <COMPOUND_NUMBER> (1,134)
WAY-340668

>  <BAR_CODE_NO> (1,134)
2550766

>  <LOCATION_CODE> (1,134)
PTNCS

>  <AMOUNT_CURRENT> (1,134)
32.3

$$$$
WAY-340674
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.3625    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417   -3.6917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9917    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625    7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -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  4  1  0  0  0  0
  4 14  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  2  0  0  0  0
  9  1  2  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  7  1  0  0  0  0
 14  6  1  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 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 10 11  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,135)
1135

>  <Formula> (1,135)
C15H15NO4

>  <MolWeight> (1,135)
273.2839

>  <PCAT_CMPD_ID> (1,135)
WAY-340674

>  <CNC_ID> (1,135)
359425683

>  <transfer_container_id> (1,135)
PTN000000074

>  <COMPOUND_NUMBER> (1,135)
WAY-340674

>  <BAR_CODE_NO> (1,135)
2550657

>  <LOCATION_CODE> (1,135)
PTNCS

>  <AMOUNT_CURRENT> (1,135)
32.2

$$$$
WAY-340812
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.7792   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    3.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -7.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792  -13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292  -11.1875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8667  -15.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 19  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14  2  2  0  0  0  0
 15  5  2  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
 18 21  1  0  0  0  0
 19 13  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23  6  1  0  0  0  0
 24  7  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  4  7  1  0  0  0  0
 24 26  2  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,136)
1136

>  <Formula> (1,136)
C18H11F2NO5

>  <MolWeight> (1,136)
359.2804464

>  <PCAT_CMPD_ID> (1,136)
WAY-340812

>  <CNC_ID> (1,136)
359425816

>  <transfer_container_id> (1,136)
PTN000000074

>  <COMPOUND_NUMBER> (1,136)
WAY-340812

>  <BAR_CODE_NO> (1,136)
2550901

>  <LOCATION_CODE> (1,136)
PTNCS

>  <AMOUNT_CURRENT> (1,136)
32.5

$$$$
WAY-340814
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
    5.6292   -2.3542    0.0000 N   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
    4.0667   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667   -9.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -3.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   -3.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.4083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167    3.0458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6667   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  1  0  0  0  0
  4  2  2  0  0  0  0
  5 14  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  7  1  0  0  0  0
 13  2  1  0  0  0  0
 14 19  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  2  0  0  0  0
 17 12  2  0  0  0  0
 18  7  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  2  0  0  0  0
 21 23  2  0  0  0  0
 22 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24  6  2  0  0  0  0
 25 21  1  0  0  0  0
 26 11  2  0  0  0  0
 27  9  2  0  0  0  0
 28 15  2  0  0  0  0
 29 24  1  0  0  0  0
 30 26  1  0  0  0  0
 31 29  2  0  0  0  0
 32 30  2  0  0  0  0
  9  4  1  0  0  0  0
 17 21  1  0  0  0  0
 31 27  1  0  0  0  0
 10 15  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,137)
1137

>  <Formula> (1,137)
C24H15F2N3O2S

>  <MolWeight> (1,137)
447.4566064

>  <PCAT_CMPD_ID> (1,137)
WAY-340814

>  <CNC_ID> (1,137)
359425817

>  <transfer_container_id> (1,137)
PTN000000074

>  <COMPOUND_NUMBER> (1,137)
WAY-340814

>  <BAR_CODE_NO> (1,137)
2550785

>  <LOCATION_CODE> (1,137)
PTNCS

>  <AMOUNT_CURRENT> (1,137)
32.3

$$$$
WAY-340830
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0833   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.1125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -2.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -1.9625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -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  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  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 10  1  0  0  0  0
 13  9  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  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
  6  7  2  0  0  0  0
  5  8  2  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,138)
1138

>  <Formula> (1,138)
C14H11ClN2O2S

>  <MolWeight> (1,138)
306.76734

>  <PCAT_CMPD_ID> (1,138)
WAY-340830

>  <CNC_ID> (1,138)
359425833

>  <transfer_container_id> (1,138)
PTN000000074

>  <COMPOUND_NUMBER> (1,138)
WAY-340830

>  <BAR_CODE_NO> (1,138)
2551143

>  <LOCATION_CODE> (1,138)
PTNCS

>  <AMOUNT_CURRENT> (1,138)
32.1

$$$$
WAY-340837
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.6116    2.4684    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0094    5.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3510    1.2962    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2811    3.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5440    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7063    0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2723    7.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025    6.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2117    2.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466    4.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067    6.1405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    8.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    4.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7441    1.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    9.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3064    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.0863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    8.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2520    9.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5648    1.1880    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3933    2.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4880    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1717    1.1294    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  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15  3  1  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 16  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21  9  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  1  0  0  0  0
 24 21  1  0  0  0  0
 17  6  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,139)
1139

>  <Formula> (1,139)
C19H27NO4

>  <MolWeight> (1,139)
333.42198

>  <PCAT_CMPD_ID> (1,139)
WAY-340837

>  <CNC_ID> (1,139)
359425840

>  <transfer_container_id> (1,139)
PTN000000074

>  <COMPOUND_NUMBER> (1,139)
WAY-340837

>  <BAR_CODE_NO> (1,139)
2550924

>  <LOCATION_CODE> (1,139)
PTNCS

>  <AMOUNT_CURRENT> (1,139)
32.4

$$$$
WAY-340452
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1250   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -5.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    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  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  2  0  0  0  0
  7 11  1  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 17  1  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 16  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  2  0  0  0  0
 20 19  1  0  0  0  0
 20 13  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,140)
1140

>  <Formula> (1,140)
C16H16O4

>  <MolWeight> (1,140)
272.29584

>  <PCAT_CMPD_ID> (1,140)
WAY-340452

>  <CNC_ID> (1,140)
359425475

>  <transfer_container_id> (1,140)
PTN000000074

>  <COMPOUND_NUMBER> (1,140)
WAY-340452

>  <BAR_CODE_NO> (1,140)
2550534

>  <LOCATION_CODE> (1,140)
PTNCS

>  <AMOUNT_CURRENT> (1,140)
32.6

$$$$
WAY-340622
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.6750    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    2.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -4.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -8.3375    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
   12.7125  -10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042  -10.2292    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 11  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15  8  2  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
 15 14  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,141)
1141

>  <Formula> (1,141)
C14H13N3O3

>  <MolWeight> (1,141)
271.27132

>  <PCAT_CMPD_ID> (1,141)
WAY-340622

>  <CNC_ID> (1,141)
359425632

>  <transfer_container_id> (1,141)
PTN000000074

>  <COMPOUND_NUMBER> (1,141)
WAY-340622

>  <BAR_CODE_NO> (1,141)
2550616

>  <LOCATION_CODE> (1,141)
PTNCS

>  <AMOUNT_CURRENT> (1,141)
32.2

$$$$
WAY-340636
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.1957    0.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8267   -0.4277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9857    0.6463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2177   -0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047    0.0913    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913    0.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6493   -0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0613   -0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9673   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4867    1.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907    0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5643   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6973    0.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9973    0.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5973    0.5473    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  4  2  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  3  1  0  0  0  0
 11  5  1  0  0  0  0
  9 12  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
 10 11  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,142)
1142

>  <Formula> (1,142)
C11H12N2O2S

>  <MolWeight> (1,142)
236.29018

>  <PCAT_CMPD_ID> (1,142)
WAY-340636

>  <CNC_ID> (1,142)
359425646

>  <transfer_container_id> (1,142)
PTN000000074

>  <COMPOUND_NUMBER> (1,142)
WAY-340636

>  <BAR_CODE_NO> (1,142)
2550630

>  <LOCATION_CODE> (1,142)
PTNCS

>  <AMOUNT_CURRENT> (1,142)
32.3

$$$$
WAY-340852
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.3250   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -3.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -6.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -8.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -4.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  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 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
  2  9  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,143)
1143

>  <Formula> (1,143)
C17H18N2O4

>  <MolWeight> (1,143)
314.33582

>  <PCAT_CMPD_ID> (1,143)
WAY-340852

>  <CNC_ID> (1,143)
359425855

>  <transfer_container_id> (1,143)
PTN000000074

>  <COMPOUND_NUMBER> (1,143)
WAY-340852

>  <BAR_CODE_NO> (1,143)
2550804

>  <LOCATION_CODE> (1,143)
PTNCS

>  <AMOUNT_CURRENT> (1,143)
32.7

$$$$
WAY-340869
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.8083   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -3.4542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5833   -4.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.5292    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -3.1667    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
   -2.0250   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -6.7250    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  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  6  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  2  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15 20  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 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21  7  2  0  0  0  0
 22 11  2  0  0  0  0
 23 18  1  0  0  0  0
 24 15  1  0  0  0  0
 25 12  1  0  0  0  0
 26 25  2  0  0  0  0
 27 21  1  0  0  0  0
 28 23  1  0  0  0  0
 29 27  2  0  0  0  0
  3  5  1  0  0  0  0
 26 14  1  0  0  0  0
 19 15  2  0  0  0  0
 29 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,144)
1144

>  <Formula> (1,144)
C23H21N3O2S

>  <MolWeight> (1,144)
403.49674

>  <PCAT_CMPD_ID> (1,144)
WAY-340869

>  <CNC_ID> (1,144)
359425872

>  <transfer_container_id> (1,144)
PTN000000074

>  <COMPOUND_NUMBER> (1,144)
WAY-340869

>  <BAR_CODE_NO> (1,144)
2551101

>  <LOCATION_CODE> (1,144)
PTNCS

>  <AMOUNT_CURRENT> (1,144)
32.4

$$$$
WAY-340898
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   11.4542   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4625   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5292   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -5.8542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -2.5792    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 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
  2  9  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,145)
1145

>  <Formula> (1,145)
C16H14FNO5

>  <MolWeight> (1,145)
319.2844632

>  <PCAT_CMPD_ID> (1,145)
WAY-340898

>  <CNC_ID> (1,145)
359425899

>  <transfer_container_id> (1,145)
PTN000000074

>  <COMPOUND_NUMBER> (1,145)
WAY-340898

>  <BAR_CODE_NO> (1,145)
2550875

>  <LOCATION_CODE> (1,145)
PTNCS

>  <AMOUNT_CURRENT> (1,145)
32.7

$$$$
WAY-340904
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.6042   -5.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -4.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4250   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -3.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -7.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -4.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -6.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -9.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792  -11.5042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -5.9792    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  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  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  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 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
 20  9  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  6  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
  5  2  1  0  0  0  0
 20 14  1  0  0  0  0
 27 25  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,146)
1146

>  <Formula> (1,146)
C19H15Cl2N3O3

>  <MolWeight> (1,146)
404.2467

>  <PCAT_CMPD_ID> (1,146)
WAY-340904

>  <CNC_ID> (1,146)
359425905

>  <transfer_container_id> (1,146)
PTN000000074

>  <COMPOUND_NUMBER> (1,146)
WAY-340904

>  <BAR_CODE_NO> (1,146)
2550858

>  <LOCATION_CODE> (1,146)
PTNCS

>  <AMOUNT_CURRENT> (1,146)
29.7

$$$$
WAY-340970
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.7375   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -3.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0500   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -4.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -6.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -3.8375    0.0000 C   0  0  0  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
   14.6667   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167    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  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  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  2  0  0  0  0
 12 21  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  2  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  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 18  1  0  0  0  0
  6  5  1  0  0  0  0
 22 12  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,147)
1147

>  <Formula> (1,147)
C17H21N3O2S

>  <MolWeight> (1,147)
331.43254

>  <PCAT_CMPD_ID> (1,147)
WAY-340970

>  <CNC_ID> (1,147)
359425970

>  <transfer_container_id> (1,147)
PTN000000074

>  <COMPOUND_NUMBER> (1,147)
WAY-340970

>  <BAR_CODE_NO> (1,147)
2551076

>  <LOCATION_CODE> (1,147)
PTNCS

>  <AMOUNT_CURRENT> (1,147)
32.2

$$$$
WAY-341000
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.0436    0.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367   -0.0734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3540    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884    0.0369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4746    0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2367    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5264    0.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2402   -0.0251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    0.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9874    0.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840   -0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5116    0.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185   -1.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -0.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1874   -0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9185   -1.4527    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
  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
 16 17  1  0  0  0  0
  5  6  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,148)
1148

>  <Formula> (1,148)
C10H10BrN3OS2

>  <MolWeight> (1,148)
332.2399

>  <PCAT_CMPD_ID> (1,148)
WAY-341000

>  <CNC_ID> (1,148)
359425999

>  <transfer_container_id> (1,148)
PTN000000074

>  <COMPOUND_NUMBER> (1,148)
WAY-341000

>  <BAR_CODE_NO> (1,148)
2551004

>  <LOCATION_CODE> (1,148)
PTNCS

>  <AMOUNT_CURRENT> (1,148)
32.5

$$$$
WAY-341018
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    9.1792   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -6.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167  -10.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -9.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -9.1042    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
    9.2917   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542  -11.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -6.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875  -11.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500  -11.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8917  -13.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250  -10.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -4.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -3.5042    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  4  2  0  0  0  0
  6  1  2  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  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  3  2  0  0  0  0
 15  9  2  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 12  2  0  0  0  0
 20 13  2  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25 10  2  0  0  0  0
 26 12  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29 18  2  0  0  0  0
 30 19  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
  5  2  1  0  0  0  0
 30 33  2  0  0  0  0
 34 29  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,149)
1149

>  <Formula> (1,149)
C27H21ClN2O4

>  <MolWeight> (1,149)
472.91964

>  <PCAT_CMPD_ID> (1,149)
WAY-341018

>  <CNC_ID> (1,149)
359426016

>  <transfer_container_id> (1,149)
PTN000000074

>  <COMPOUND_NUMBER> (1,149)
WAY-341018

>  <BAR_CODE_NO> (1,149)
2551058

>  <LOCATION_CODE> (1,149)
PTNCS

>  <AMOUNT_CURRENT> (1,149)
32.5

$$$$
WAY-341035
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.4000   -1.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -4.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -0.5875    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
  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  1  1  0  0  0  0
  8  4  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  3  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 18  1  0  0  0  0
 18 12  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
  5  2  1  0  0  0  0
 15 13  2  0  0  0  0
  6 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,150)
1150

>  <Formula> (1,150)
C20H17NO2

>  <MolWeight> (1,150)
303.35448

>  <PCAT_CMPD_ID> (1,150)
WAY-341035

>  <CNC_ID> (1,150)
359426033

>  <transfer_container_id> (1,150)
PTN000000074

>  <COMPOUND_NUMBER> (1,150)
WAY-341035

>  <BAR_CODE_NO> (1,150)
2551544

>  <LOCATION_CODE> (1,150)
PTNCS

>  <AMOUNT_CURRENT> (1,150)
29.6

$$$$
WAY-341053
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.2414    0.0862    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -1.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    1.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0069    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0931   -1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4448   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276    0.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8552    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8793   -1.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3966    0.0724    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
  1  5  2  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
  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
 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
 16 18  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,151)
1151

>  <Formula> (1,151)
C11H13BrN2O3S

>  <MolWeight> (1,151)
333.20152

>  <PCAT_CMPD_ID> (1,151)
WAY-341053

>  <CNC_ID> (1,151)
359426051

>  <transfer_container_id> (1,151)
PTN000000074

>  <COMPOUND_NUMBER> (1,151)
WAY-341053

>  <BAR_CODE_NO> (1,151)
2551562

>  <LOCATION_CODE> (1,151)
PTNCS

>  <AMOUNT_CURRENT> (1,151)
32.1

$$$$
WAY-341141
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.5875   -9.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042  -10.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -7.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375  -11.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417  -11.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375  -10.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -10.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -11.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -2.5542    0.0000 O   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  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  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  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  2  2  0  0  0  0
 15  5  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  2  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 17  1  0  0  0  0
 22 19  1  0  0  0  0
 12  3  1  0  0  0  0
 21 19  2  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,152)
1152

>  <Formula> (1,152)
C17H18N2O2S

>  <MolWeight> (1,152)
314.40202

>  <PCAT_CMPD_ID> (1,152)
WAY-341141

>  <CNC_ID> (1,152)
359426134

>  <transfer_container_id> (1,152)
PTN000000074

>  <COMPOUND_NUMBER> (1,152)
WAY-341141

>  <BAR_CODE_NO> (1,152)
2551174

>  <LOCATION_CODE> (1,152)
PTNCS

>  <AMOUNT_CURRENT> (1,152)
32.9

$$$$
WAY-341172
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.2250   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -4.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -3.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -4.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -3.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -2.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -2.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -3.8750    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  2  1  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  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  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  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  2  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 21  2  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 12  9  1  0  0  0  0
  6  7  2  0  0  0  0
 23 19  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C18H15N5O2S

>  <MolWeight> (1,153)
365.409

>  <PCAT_CMPD_ID> (1,153)
WAY-341172

>  <CNC_ID> (1,153)
359426165

>  <transfer_container_id> (1,153)
PTN000000074

>  <COMPOUND_NUMBER> (1,153)
WAY-341172

>  <BAR_CODE_NO> (1,153)
2551240

>  <LOCATION_CODE> (1,153)
PTNCS

>  <AMOUNT_CURRENT> (1,153)
32.5

$$$$
WAY-341217
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.7375   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -6.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -5.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -4.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500  -10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -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  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  1  0  0  0  0
  9 16  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  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 23  2  0  0  0  0
 18  3  2  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 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24  6  2  0  0  0  0
 25 18  1  0  0  0  0
 26 24  1  0  0  0  0
  6  3  1  0  0  0  0
 26 25  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,154)
1154

>  <Formula> (1,154)
C18H14ClN3O4

>  <MolWeight> (1,154)
371.77446

>  <PCAT_CMPD_ID> (1,154)
WAY-341217

>  <CNC_ID> (1,154)
359426209

>  <transfer_container_id> (1,154)
PTN000000074

>  <COMPOUND_NUMBER> (1,154)
WAY-341217

>  <BAR_CODE_NO> (1,154)
2551250

>  <LOCATION_CODE> (1,154)
PTNCS

>  <AMOUNT_CURRENT> (1,154)
32.4

$$$$
WAY-341226
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.1167   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -6.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -6.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -9.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -5.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -11.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -6.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667  -11.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000  -11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -10.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -9.1417    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  3  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  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  9  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  2  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  0  0  0  0
 21 11  1  0  0  0  0
 22 18  1  0  0  0  0
 23 13  1  0  0  0  0
 24 13  2  0  0  0  0
 25 19  2  0  0  0  0
 26 19  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 25  1  0  0  0  0
 31 28  2  0  0  0  0
 32 29  1  0  0  0  0
  6  4  1  0  0  0  0
 30 32  2  0  0  0  0
 31 27  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,155)
1155

>  <Formula> (1,155)
C25H17ClN2O4

>  <MolWeight> (1,155)
444.86648

>  <PCAT_CMPD_ID> (1,155)
WAY-341226

>  <CNC_ID> (1,155)
359426218

>  <transfer_container_id> (1,155)
PTN000000074

>  <COMPOUND_NUMBER> (1,155)
WAY-341226

>  <BAR_CODE_NO> (1,155)
2551260

>  <LOCATION_CODE> (1,155)
PTNCS

>  <AMOUNT_CURRENT> (1,155)
32.7

$$$$
WAY-341240
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.8250   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -2.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -5.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -4.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3625   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -4.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5500   -8.8542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375   -6.7667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -9.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -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 12  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10 23  1  0  0  0  0
 11  9  1  0  0  0  0
 12 16  2  0  0  0  0
 13 24  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  2  0  0  0  0
 16 14  1  0  0  0  0
 17 11  2  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  5  1  0  0  0  0
 22 11  1  0  0  0  0
 23 25  2  0  0  0  0
 24 22  1  0  0  0  0
 25 16  1  0  0  0  0
 26 10  1  0  0  0  0
 27  4  2  0  0  0  0
 28  8  2  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
  8  4  1  0  0  0  0
 30 29  2  0  0  0  0
  3 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,156)
1156

>  <Formula> (1,156)
C19H13ClF3N3O4

>  <MolWeight> (1,156)
439.7724296

>  <PCAT_CMPD_ID> (1,156)
WAY-341240

>  <CNC_ID> (1,156)
359426231

>  <transfer_container_id> (1,156)
PTN000000074

>  <COMPOUND_NUMBER> (1,156)
WAY-341240

>  <BAR_CODE_NO> (1,156)
2551229

>  <LOCATION_CODE> (1,156)
PTNCS

>  <AMOUNT_CURRENT> (1,156)
32.3

$$$$
WAY-341296
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0333   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -0.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    0.5500    0.0000 C   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
    1.8667   -0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.0708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.9958    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
   -0.0333    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.8125    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  1  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  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 22  1  0  0  0  0
 21 11  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 21  2  0  0  0  0
 26 21  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  2  2  0  0  0  0
  9  8  1  0  0  0  0
 28 29  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,157)
1157

>  <Formula> (1,157)
C21H16ClN3O2S2

>  <MolWeight> (1,157)
441.95364

>  <PCAT_CMPD_ID> (1,157)
WAY-341296

>  <CNC_ID> (1,157)
359426287

>  <transfer_container_id> (1,157)
PTN000000074

>  <COMPOUND_NUMBER> (1,157)
WAY-341296

>  <BAR_CODE_NO> (1,157)
2551537

>  <LOCATION_CODE> (1,157)
PTNCS

>  <AMOUNT_CURRENT> (1,157)
32.5

$$$$
WAY-341306
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.9917   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -2.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7042   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -5.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -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  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10 18  2  0  0  0  0
 11  7  1  0  0  0  0
 12 21  1  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  8  2  0  0  0  0
 17  8  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  7  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  1  0  0  0  0
 19 10  1  0  0  0  0
 12 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,158)
1158

>  <Formula> (1,158)
C17H19ClN2O4

>  <MolWeight> (1,158)
350.79676

>  <PCAT_CMPD_ID> (1,158)
WAY-341306

>  <CNC_ID> (1,158)
359426297

>  <transfer_container_id> (1,158)
PTN000000074

>  <COMPOUND_NUMBER> (1,158)
WAY-341306

>  <BAR_CODE_NO> (1,158)
2551444

>  <LOCATION_CODE> (1,158)
PTNCS

>  <AMOUNT_CURRENT> (1,158)
32.3

$$$$
WAY-341310
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.7375   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -3.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0500   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -4.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -6.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042    2.1958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -6.8917    0.0000 C   0  0  0  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  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  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  2  0  0  0  0
 12 22  1  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  2  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  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
  5  6  1  0  0  0  0
 23 12  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,159)
1159

>  <Formula> (1,159)
C16H18ClN3O2S

>  <MolWeight> (1,159)
351.85102

>  <PCAT_CMPD_ID> (1,159)
WAY-341310

>  <CNC_ID> (1,159)
359426301

>  <transfer_container_id> (1,159)
PTN000000074

>  <COMPOUND_NUMBER> (1,159)
WAY-341310

>  <BAR_CODE_NO> (1,159)
2551340

>  <LOCATION_CODE> (1,159)
PTNCS

>  <AMOUNT_CURRENT> (1,159)
32.2

$$$$
WAY-341365
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1656   -0.7156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8781   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906   -0.7156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    0.5219    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2636   -0.7156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3031   -0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3031    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8781    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0239    0.9344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5906    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9761   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969   -0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1136   -0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1136    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8261   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8344    0.5219    0.0000 C   0  0  0  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  4  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  2  0  0  0  0
 12  6  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 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 17  2  0  0  0  0
  8  7  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,160)
1160

>  <Formula> (1,160)
C14H14BrN3S

>  <MolWeight> (1,160)
336.25006

>  <PCAT_CMPD_ID> (1,160)
WAY-341365

>  <CNC_ID> (1,160)
359426355

>  <transfer_container_id> (1,160)
PTN000000074

>  <COMPOUND_NUMBER> (1,160)
WAY-341365

>  <BAR_CODE_NO> (1,160)
2551977

>  <LOCATION_CODE> (1,160)
PTNCS

>  <AMOUNT_CURRENT> (1,160)
32.4

$$$$
WAY-341407-A
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.4167   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -9.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -8.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -9.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042  -10.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375  -10.0542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.3500  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -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  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  7  1  0  0  0  0
  9  7  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 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
  3  6  2  0  0  0  0
 17 18  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,161)
1161

>  <Formula> (1,161)
C14H15BrN2S

>  <MolWeight> (1,161)
323.2513

>  <PCAT_CMPD_ID> (1,161)
WAY-341407-A

>  <CNC_ID> (1,161)
359426397

>  <transfer_container_id> (1,161)
PTN000000074

>  <COMPOUND_NUMBER> (1,161)
WAY-341407-A

>  <BAR_CODE_NO> (1,161)
2552383

>  <LOCATION_CODE> (1,161)
PTNCS

>  <AMOUNT_CURRENT> (1,161)
32.3

$$$$
WAY-341446
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.6250   -5.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -7.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -4.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -5.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -8.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9167   -6.2250    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  2  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  3  2  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12 16  1  0  0  0  0
 13 21  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  5  2  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 10  1  0  0  0  0
 22 19  1  0  0  0  0
 23  3  1  0  0  0  0
 24  4  1  0  0  0  0
 25 23  2  0  0  0  0
 26 11  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 26  1  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
 16 27  2  0  0  0  0
 30 32  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,162)
1162

>  <Formula> (1,162)
C23H27N3O5S

>  <MolWeight> (1,162)
457.54258

>  <PCAT_CMPD_ID> (1,162)
WAY-341446

>  <CNC_ID> (1,162)
359426412

>  <transfer_container_id> (1,162)
PTN000000074

>  <COMPOUND_NUMBER> (1,162)
WAY-341446

>  <BAR_CODE_NO> (1,162)
2551380

>  <LOCATION_CODE> (1,162)
PTNCS

>  <AMOUNT_CURRENT> (1,162)
32.2

$$$$
WAY-341490
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.5500   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -5.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -8.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -5.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875   -6.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417   -9.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8167   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -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  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  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  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 12  2  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 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  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 20  2  0  0  0  0
 26 19  1  0  0  0  0
 27 25  1  0  0  0  0
  7  8  1  0  0  0  0
 21 14  2  0  0  0  0
 23 24  2  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,163)
1163

>  <Formula> (1,163)
C22H18N2O2S

>  <MolWeight> (1,163)
374.45552

>  <PCAT_CMPD_ID> (1,163)
WAY-341490

>  <CNC_ID> (1,163)
359426453

>  <transfer_container_id> (1,163)
PTN000000074

>  <COMPOUND_NUMBER> (1,163)
WAY-341490

>  <BAR_CODE_NO> (1,163)
2551431

>  <LOCATION_CODE> (1,163)
PTNCS

>  <AMOUNT_CURRENT> (1,163)
32.6

$$$$
WAY-341521
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.7167   -3.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -1.9250    0.0000 N   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   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -4.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -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 10  2  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  1  0  0  0  0
 11 15  2  0  0  0  0
 12  3  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 11  1  0  0  0  0
 17  7  1  0  0  0  0
 14  7  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (1,164)
1164

>  <Formula> (1,164)
C10H14ClN3O2S

>  <MolWeight> (1,164)
275.75506

>  <PCAT_CMPD_ID> (1,164)
WAY-341521

>  <CNC_ID> (1,164)
359426480

>  <transfer_container_id> (1,164)
PTN000000074

>  <COMPOUND_NUMBER> (1,164)
WAY-341521

>  <BAR_CODE_NO> (1,164)
2551569

>  <LOCATION_CODE> (1,164)
PTNCS

>  <AMOUNT_CURRENT> (1,164)
32.1

$$$$
WAY-341539
csChFnd80/11182011152D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.2954   -0.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023    0.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8219    0.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2988   -1.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471    1.7161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6643    0.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9426   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184   -2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2712    2.3679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2126    1.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9426   -1.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1736    0.1713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5092    1.4851    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1702   -1.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9322   -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  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
 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
  9 10  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,165)
1165

>  <Formula> (1,165)
C9H6N2O3S

>  <MolWeight> (1,165)
222.22054

>  <PCAT_CMPD_ID> (1,165)
WAY-341539

>  <CNC_ID> (1,165)
359426498

>  <transfer_container_id> (1,165)
PTN000000074

>  <COMPOUND_NUMBER> (1,165)
WAY-341539

>  <BAR_CODE_NO> (1,165)
2551509

>  <LOCATION_CODE> (1,165)
PTNCS

>  <AMOUNT_CURRENT> (1,165)
20.45

$$$$
WAY-341571
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   15.2417   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -4.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -8.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -8.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -2.0167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -3.3292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292  -12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042  -12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292  -15.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375  -13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000  -15.2917    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 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  1  2  0  0  0  0
 10  8  2  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  6  1  0  0  0  0
 15  5  2  0  0  0  0
 16  3  2  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 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
 23 21  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,166)
1166

>  <Formula> (1,166)
C16H20F2N2O3

>  <MolWeight> (1,166)
326.3384064

>  <PCAT_CMPD_ID> (1,166)
WAY-341571

>  <CNC_ID> (1,166)
359426529

>  <transfer_container_id> (1,166)
PTN000000074

>  <COMPOUND_NUMBER> (1,166)
WAY-341571

>  <BAR_CODE_NO> (1,166)
2551522

>  <LOCATION_CODE> (1,166)
PTNCS

>  <AMOUNT_CURRENT> (1,166)
32.5

$$$$
WAY-341709
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.1667   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417   -5.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -4.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -3.3542    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  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  1  2  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14 20  2  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 14  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23  2  1  0  0  0  0
 24  2  1  0  0  0  0
 25  2  1  0  0  0  0
 19 14  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,167)
1167

>  <Formula> (1,167)
C20H23FN2O2

>  <MolWeight> (1,167)
342.4072232

>  <PCAT_CMPD_ID> (1,167)
WAY-341709

>  <CNC_ID> (1,167)
359426658

>  <transfer_container_id> (1,167)
PTN000000074

>  <COMPOUND_NUMBER> (1,167)
WAY-341709

>  <BAR_CODE_NO> (1,167)
2551704

>  <LOCATION_CODE> (1,167)
PTNCS

>  <AMOUNT_CURRENT> (1,167)
32.5

$$$$
WAY-341820
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.1375   -9.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -9.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042  -11.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -6.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -8.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042  -12.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -6.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -2.2875    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
    2.2250    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    2.3208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625  -11.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417  -12.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542  -14.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -9.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542  -14.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167  -15.9750    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 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  2  0  0  0  0
 15 14  1  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  2  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 13  1  0  0  0  0
 23 19  1  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  2  0  0  0  0
M  END
>  <Mol_ID> (1,168)
1168

>  <Formula> (1,168)
C23H18ClNO3

>  <MolWeight> (1,168)
391.84692

>  <PCAT_CMPD_ID> (1,168)
WAY-341820

>  <CNC_ID> (1,168)
359426763

>  <transfer_container_id> (1,168)
PTN000000074

>  <COMPOUND_NUMBER> (1,168)
WAY-341820

>  <BAR_CODE_NO> (1,168)
2551837

>  <LOCATION_CODE> (1,168)
PTNCS

>  <AMOUNT_CURRENT> (1,168)
32.6

$$$$
WAY-341864
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.1101    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101   -0.2748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8934    0.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899    0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309    0.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726    0.9460    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    1.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    1.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5726    0.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774   -1.8623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7274   -1.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524   -0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    0.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -0.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066   -1.4915    0.0000 C   0  0  0  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  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  3  0  0  0  0
 12 17  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  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
  8  4  2  0  0  0  0
  9 10  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,169)
1169

>  <Formula> (1,169)
C14H11N3OS

>  <MolWeight> (1,169)
269.32164

>  <PCAT_CMPD_ID> (1,169)
WAY-341864

>  <CNC_ID> (1,169)
359426804

>  <transfer_container_id> (1,169)
PTN000000074

>  <COMPOUND_NUMBER> (1,169)
WAY-341864

>  <BAR_CODE_NO> (1,169)
2552091

>  <LOCATION_CODE> (1,169)
PTNCS

>  <AMOUNT_CURRENT> (1,169)
32.9

$$$$
WAY-341911
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   10.4792   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -7.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -8.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.4250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -6.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9375   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -5.4167    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  3  2  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  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 16  2  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  8  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
  2  6  2  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,170)
1170

>  <Formula> (1,170)
C15H13BrN2O2

>  <MolWeight> (1,170)
333.17992

>  <PCAT_CMPD_ID> (1,170)
WAY-341911

>  <CNC_ID> (1,170)
359426851

>  <transfer_container_id> (1,170)
PTN000000074

>  <COMPOUND_NUMBER> (1,170)
WAY-341911

>  <BAR_CODE_NO> (1,170)
2551931

>  <LOCATION_CODE> (1,170)
PTNCS

>  <AMOUNT_CURRENT> (1,170)
32.1

$$$$
WAY-341921
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   10.9667   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -7.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -7.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750   -6.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375   -8.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6625  -10.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917  -10.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6542   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -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  4  2  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  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  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  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 16  1  0  0  0  0
  3  5  1  0  0  0  0
 18 17  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,171)
1171

>  <Formula> (1,171)
C12H10N2O3S

>  <MolWeight> (1,171)
262.2844

>  <PCAT_CMPD_ID> (1,171)
WAY-341921

>  <CNC_ID> (1,171)
359426861

>  <transfer_container_id> (1,171)
PTN000000074

>  <COMPOUND_NUMBER> (1,171)
WAY-341921

>  <BAR_CODE_NO> (1,171)
2551942

>  <LOCATION_CODE> (1,171)
PTNCS

>  <AMOUNT_CURRENT> (1,171)
33

$$$$
WAY-341963
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.4417   -3.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -4.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -4.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -1.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3500   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -6.8000    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  6  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 15  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17  8  2  0  0  0  0
 18  8  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
  5  3  1  0  0  0  0
 21 19  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,172)
1172

>  <Formula> (1,172)
C16H13N3OS

>  <MolWeight> (1,172)
295.35892

>  <PCAT_CMPD_ID> (1,172)
WAY-341963

>  <CNC_ID> (1,172)
359426902

>  <transfer_container_id> (1,172)
PTN000000074

>  <COMPOUND_NUMBER> (1,172)
WAY-341963

>  <BAR_CODE_NO> (1,172)
2552020

>  <LOCATION_CODE> (1,172)
PTNCS

>  <AMOUNT_CURRENT> (1,172)
32.5

$$$$
WAY-341989
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.2042   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -5.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -5.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8125   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -9.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -10.9917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.3583    0.0000 C   0  0  0  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  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  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  8  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 18  9  2  0  0  0  0
 16  8  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,173)
1173

>  <Formula> (1,173)
C17H16BrNO

>  <MolWeight> (1,173)
330.21904

>  <PCAT_CMPD_ID> (1,173)
WAY-341989

>  <CNC_ID> (1,173)
359426928

>  <transfer_container_id> (1,173)
PTN000000074

>  <COMPOUND_NUMBER> (1,173)
WAY-341989

>  <BAR_CODE_NO> (1,173)
2552051

>  <LOCATION_CODE> (1,173)
PTNCS

>  <AMOUNT_CURRENT> (1,173)
32.2

$$$$
WAY-341992
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.9667   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -4.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -4.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1667   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -7.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.9792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    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  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  4  2  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  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  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  7  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 12 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,174)
1174

>  <Formula> (1,174)
C17H16BrNO

>  <MolWeight> (1,174)
330.21904

>  <PCAT_CMPD_ID> (1,174)
WAY-341992

>  <CNC_ID> (1,174)
359426931

>  <transfer_container_id> (1,174)
PTN000000074

>  <COMPOUND_NUMBER> (1,174)
WAY-341992

>  <BAR_CODE_NO> (1,174)
2552054

>  <LOCATION_CODE> (1,174)
PTNCS

>  <AMOUNT_CURRENT> (1,174)
32.5

$$$$
WAY-342056
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.0042   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -5.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -5.2792    0.0000 O   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
    9.8292   -6.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875   -5.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4250   -9.9917    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  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  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12 17  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  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  6  1  0  0  0  0
 20  5  2  0  0  0  0
 21  4  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 18  2  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  1  0  0  0  0
 30 29  2  0  0  0  0
  5  4  1  0  0  0  0
  9 22  2  0  0  0  0
 27 26  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,175)
1175

>  <Formula> (1,175)
C23H16N2O5

>  <MolWeight> (1,175)
400.38354

>  <PCAT_CMPD_ID> (1,175)
WAY-342056

>  <CNC_ID> (1,175)
359426991

>  <transfer_container_id> (1,175)
PTN000000074

>  <COMPOUND_NUMBER> (1,175)
WAY-342056

>  <BAR_CODE_NO> (1,175)
2552131

>  <LOCATION_CODE> (1,175)
PTNCS

>  <AMOUNT_CURRENT> (1,175)
32.7

$$$$
WAY-342117
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.7060   -0.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6163   -0.7053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060    0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3423    0.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474   -1.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888   -1.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474    0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3423    0.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0198   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0198    1.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733    0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7888   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7888    0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    1.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    0.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    0.8706    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
  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
  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
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  8  2  0  0  0  0
 15 16  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,176)
1176

>  <Formula> (1,176)
C14H10FNO3S

>  <MolWeight> (1,176)
291.2975032

>  <PCAT_CMPD_ID> (1,176)
WAY-342117

>  <CNC_ID> (1,176)
359427040

>  <transfer_container_id> (1,176)
PTN000000074

>  <COMPOUND_NUMBER> (1,176)
WAY-342117

>  <BAR_CODE_NO> (1,176)
2552145

>  <LOCATION_CODE> (1,176)
PTNCS

>  <AMOUNT_CURRENT> (1,176)
29.3

$$$$
WAY-342119
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.7750   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -8.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1417   -6.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8417  -11.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -9.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -6.6042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5000  -11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250  -13.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625  -13.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -9.8917    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
  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  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  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  7  1  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 17  2  0  0  0  0
 13  7  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,177)
1177

>  <Formula> (1,177)
C16H24N2S

>  <MolWeight> (1,177)
276.44016

>  <PCAT_CMPD_ID> (1,177)
WAY-342119

>  <CNC_ID> (1,177)
359427042

>  <transfer_container_id> (1,177)
PTN000000074

>  <COMPOUND_NUMBER> (1,177)
WAY-342119

>  <BAR_CODE_NO> (1,177)
2552147

>  <LOCATION_CODE> (1,177)
PTNCS

>  <AMOUNT_CURRENT> (1,177)
32.4

$$$$
WAY-342129
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.3917   -6.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -6.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -5.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -3.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -8.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -8.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.7083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.3958    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 14  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  2  0  0  0  0
 11 20  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  3  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  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  2  1  0  0  0  0
 23  2  1  0  0  0  0
 24 10  1  0  0  0  0
 25 24  1  0  0  0  0
 26  7  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  2  0  0  0  0
 30 29  1  0  0  0  0
 19 11  1  0  0  0  0
 27 21  1  0  0  0  0
 15  5  1  0  0  0  0
 30 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,178)
1178

>  <Formula> (1,178)
C21H24ClN3O4S

>  <MolWeight> (1,178)
449.95096

>  <PCAT_CMPD_ID> (1,178)
WAY-342129

>  <CNC_ID> (1,178)
359427051

>  <transfer_container_id> (1,178)
PTN000000074

>  <COMPOUND_NUMBER> (1,178)
WAY-342129

>  <BAR_CODE_NO> (1,178)
2552189

>  <LOCATION_CODE> (1,178)
PTNCS

>  <AMOUNT_CURRENT> (1,178)
32.2

$$$$
WAY-342188
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.9667   -2.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -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  4  1  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  3  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  5  2  0  0  0  0
 12  1  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  2  2  0  0  0  0
 16  6  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 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 17  9  1  0  0  0  0
 18 22  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,179)
1179

>  <Formula> (1,179)
C18H19N3O2

>  <MolWeight> (1,179)
309.36236

>  <PCAT_CMPD_ID> (1,179)
WAY-342188

>  <CNC_ID> (1,179)
359427107

>  <transfer_container_id> (1,179)
PTN000000074

>  <COMPOUND_NUMBER> (1,179)
WAY-342188

>  <BAR_CODE_NO> (1,179)
2552349

>  <LOCATION_CODE> (1,179)
PTNCS

>  <AMOUNT_CURRENT> (1,179)
32.6

$$$$
WAY-342203
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.1250   -3.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -3.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0167   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -1.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6250   -4.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -3.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  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  6  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 12  1  0  0  0  0
 23 16  2  0  0  0  0
 24 16  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
  7 12  1  0  0  0  0
 21 20  2  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,180)
1180

>  <Formula> (1,180)
C20H21NO6S

>  <MolWeight> (1,180)
403.44884

>  <PCAT_CMPD_ID> (1,180)
WAY-342203

>  <CNC_ID> (1,180)
359427122

>  <transfer_container_id> (1,180)
PTN000000074

>  <COMPOUND_NUMBER> (1,180)
WAY-342203

>  <BAR_CODE_NO> (1,180)
2552259

>  <LOCATION_CODE> (1,180)
PTNCS

>  <AMOUNT_CURRENT> (1,180)
32.6

$$$$
WAY-342228
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.8292   -6.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -5.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4667   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -4.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -8.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0500  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -5.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -7.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -4.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1917  -12.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5500   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -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  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  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14  3  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18  2  1  0  0  0  0
 19 22  1  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  6  1  0  0  0  0
 24 12  1  0  0  0  0
 25 11  1  0  0  0  0
 26 15  1  0  0  0  0
 27 21  1  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
  5  2  1  0  0  0  0
 15 19  1  0  0  0  0
 29 26  2  0  0  0  0
 16 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,181)
1181

>  <Formula> (1,181)
C22H23N3O4

>  <MolWeight> (1,181)
393.43572

>  <PCAT_CMPD_ID> (1,181)
WAY-342228

>  <CNC_ID> (1,181)
359427144

>  <transfer_container_id> (1,181)
PTN000000074

>  <COMPOUND_NUMBER> (1,181)
WAY-342228

>  <BAR_CODE_NO> (1,181)
2552284

>  <LOCATION_CODE> (1,181)
PTNCS

>  <AMOUNT_CURRENT> (1,181)
32.6

$$$$
WAY-342299
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.6167   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -5.9375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.9167   -7.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750  -14.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625  -13.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042  -11.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875  -10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417  -14.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    1.2625    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
  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 16  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  7  1  0  0  0  0
 12 14  1  0  0  0  0
 13  1  1  0  0  0  0
 14 19  1  0  0  0  0
 15  2  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18  6  1  0  0  0  0
 19 25  1  0  0  0  0
 20  9  1  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
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
 26  5  1  0  0  0  0
 27 12  1  0  0  0  0
 28 21  1  0  0  0  0
 29 20  1  0  0  0  0
  3  7  2  0  0  0  0
  9 10  1  0  0  0  0
 19 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,182)
1182

>  <Formula> (1,182)
C22H27N3O4

>  <MolWeight> (1,182)
397.46748

>  <PCAT_CMPD_ID> (1,182)
WAY-342299

>  <CNC_ID> (1,182)
359427200

>  <transfer_container_id> (1,182)
PTN000000074

>  <COMPOUND_NUMBER> (1,182)
WAY-342299

>  <BAR_CODE_NO> (1,182)
2552417

>  <LOCATION_CODE> (1,182)
PTNCS

>  <AMOUNT_CURRENT> (1,182)
32

$$$$
WAY-343025
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.9792   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -7.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -8.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375  -10.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417  -13.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917  -10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -7.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250  -13.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -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  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  5  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  7  1  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  9  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
 10 11  2  0  0  0  0
  6 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,183)
1183

>  <Formula> (1,183)
C13H13N3OS

>  <MolWeight> (1,183)
259.32682

>  <PCAT_CMPD_ID> (1,183)
WAY-343025

>  <CNC_ID> (1,183)
359427233

>  <transfer_container_id> (1,183)
PTN000000074

>  <COMPOUND_NUMBER> (1,183)
WAY-343025

>  <BAR_CODE_NO> (1,183)
2552011

>  <LOCATION_CODE> (1,183)
PTNCS

>  <AMOUNT_CURRENT> (1,183)
32.1

$$$$
WL-145078
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.0394   -0.8084    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5774    0.6528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -1.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059   -1.6771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9842    0.6528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4913    1.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6605   -0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018   -2.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4612   -0.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0228    1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8687    3.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1217   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2580   -3.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9274   -1.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4229   -2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4229   -0.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341    1.4863    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
  6 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
 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
  5  9  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,184)
1184

>  <Formula> (1,184)
C12H13N3O2S

>  <MolWeight> (1,184)
263.31552

>  <PCAT_CMPD_ID> (1,184)
WL-145078

>  <CNC_ID> (1,184)
359433494

>  <transfer_container_id> (1,184)
PTN000000074

>  <COMPOUND_NUMBER> (1,184)
WL-145078

>  <BAR_CODE_NO> (1,184)
3911379

>  <LOCATION_CODE> (1,184)
PTNCS

>  <AMOUNT_CURRENT> (1,184)
33.5

$$$$
WL-345702
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.0006   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006    0.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4891   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489    0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006   -0.5895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4891   -0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408   -0.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4891    0.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903   -0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420   -0.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903    0.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489    0.6899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9891   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9903   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006    0.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316   -0.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 13 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
 21 24  1  0  0  0  0
  7 11  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,185)
1185

>  <Formula> (1,185)
C18H22N2O4

>  <MolWeight> (1,185)
330.37828

>  <PCAT_CMPD_ID> (1,185)
WL-345702

>  <CNC_ID> (1,185)
359433507

>  <transfer_container_id> (1,185)
PTN000000074

>  <COMPOUND_NUMBER> (1,185)
WL-345702

>  <BAR_CODE_NO> (1,185)
3913169

>  <LOCATION_CODE> (1,185)
PTNCS

>  <AMOUNT_CURRENT> (1,185)
33.7

$$$$
WAY-345551
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0167   -7.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -6.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667  -11.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -12.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500  -10.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -8.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -7.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167  -12.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542  -12.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542  -11.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792  -11.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -4.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250  -10.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -3.2667    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  5  1  0  0  0  0
  5  9  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 15  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  6  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  5  2  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 18  1  0  0  0  0
 22  7  2  0  0  0  0
 23 13  1  0  0  0  0
 24 16  1  0  0  0  0
 25 18  2  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 15 20  2  0  0  0  0
 27 25  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,186)
1186

>  <Formula> (1,186)
C19H17ClN2O3S2

>  <MolWeight> (1,186)
420.93288

>  <PCAT_CMPD_ID> (1,186)
WAY-345551

>  <CNC_ID> (1,186)
359433560

>  <transfer_container_id> (1,186)
PTN000000075

>  <COMPOUND_NUMBER> (1,186)
WAY-345551

>  <BAR_CODE_NO> (1,186)
2556452

>  <LOCATION_CODE> (1,186)
PTNCS

>  <AMOUNT_CURRENT> (1,186)
32.9

$$$$
WAY-345649
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.5875   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -2.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -6.3125    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  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  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  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 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  7 12  1  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,187)
1187

>  <Formula> (1,187)
C13H13NO2S

>  <MolWeight> (1,187)
247.31282

>  <PCAT_CMPD_ID> (1,187)
WAY-345649

>  <CNC_ID> (1,187)
359433594

>  <transfer_container_id> (1,187)
PTN000000075

>  <COMPOUND_NUMBER> (1,187)
WAY-345649

>  <BAR_CODE_NO> (1,187)
2556178

>  <LOCATION_CODE> (1,187)
PTNCS

>  <AMOUNT_CURRENT> (1,187)
32.3

$$$$
WAY-345679
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.4224    6.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261    6.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    5.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3489    7.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879    8.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1141    7.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330    1.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330    3.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3411    2.6323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5340    5.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4133    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6275    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878    8.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224    3.8502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3302    5.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090    5.0771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2294    3.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3926    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   10.0559    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 13  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  2  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16  2  1  0  0  0  0
 17 10  1  0  0  0  0
 18  4  1  0  0  0  0
 19 13  1  0  0  0  0
  4  5  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,188)
1188

>  <Formula> (1,188)
C12H12Cl2N2O3

>  <MolWeight> (1,188)
303.14128

>  <PCAT_CMPD_ID> (1,188)
WAY-345679

>  <CNC_ID> (1,188)
359433612

>  <transfer_container_id> (1,188)
PTN000000075

>  <COMPOUND_NUMBER> (1,188)
WAY-345679

>  <BAR_CODE_NO> (1,188)
2555906

>  <LOCATION_CODE> (1,188)
PTNCS

>  <AMOUNT_CURRENT> (1,188)
32.6

$$$$
WAY-345687
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.1750    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    3.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6 13  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  3  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  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  4  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
  7  9  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,189)
1189

>  <Formula> (1,189)
C16H16O3S

>  <MolWeight> (1,189)
288.36144

>  <PCAT_CMPD_ID> (1,189)
WAY-345687

>  <CNC_ID> (1,189)
359433620

>  <transfer_container_id> (1,189)
PTN000000075

>  <COMPOUND_NUMBER> (1,189)
WAY-345687

>  <BAR_CODE_NO> (1,189)
2555914

>  <LOCATION_CODE> (1,189)
PTNCS

>  <AMOUNT_CURRENT> (1,189)
32.6

$$$$
WAY-345692
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.3722    3.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0835    2.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9809    3.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5180    0.9246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7775    5.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2749    4.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4800    2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0801    7.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7819    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775    5.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0696    4.6354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783    4.6424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9722    5.8446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757    8.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6922    7.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8801    4.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662    9.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593    9.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260    8.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1544    0.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6136    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 11  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  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
 12  1  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  9  2  0  0  0  0
 17  6  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  4  1  0  0  0  0
 22 18  1  0  0  0  0
  8 10  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,190)
1190

>  <Formula> (1,190)
C15H14N2O5

>  <MolWeight> (1,190)
302.28206

>  <PCAT_CMPD_ID> (1,190)
WAY-345692

>  <CNC_ID> (1,190)
359433624

>  <transfer_container_id> (1,190)
PTN000000075

>  <COMPOUND_NUMBER> (1,190)
WAY-345692

>  <BAR_CODE_NO> (1,190)
2555919

>  <LOCATION_CODE> (1,190)
PTNCS

>  <AMOUNT_CURRENT> (1,190)
32.7

$$$$
WAY-345839
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.3917   -4.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625   -8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -3.2167    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
    9.6292   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9667  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -2.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -6.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -5.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875   -7.1625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.6625   -9.7375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167  -11.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -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  1  1  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  3  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 15  2  0  0  0  0
 12  2  2  0  0  0  0
 13  9  1  0  0  0  0
 14  3  2  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  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 22 10  1  0  0  0  0
 23  4  1  0  0  0  0
  7  4  1  0  0  0  0
 10  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,191)
1191

>  <Formula> (1,191)
C13H11ClF3N3O3

>  <MolWeight> (1,191)
349.6929496

>  <PCAT_CMPD_ID> (1,191)
WAY-345839

>  <CNC_ID> (1,191)
359433765

>  <transfer_container_id> (1,191)
PTN000000075

>  <COMPOUND_NUMBER> (1,191)
WAY-345839

>  <BAR_CODE_NO> (1,191)
2556079

>  <LOCATION_CODE> (1,191)
PTNCS

>  <AMOUNT_CURRENT> (1,191)
32.4

$$$$
WAY-345877
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.7670    2.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5410    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    3.8769    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7670    0.2969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387    2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387    0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5725    4.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2882    4.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8454    7.3075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0547    5.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9431    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9763    8.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    6.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4208    9.4853    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1297    6.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4208    5.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085    7.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8996    7.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204    4.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776    7.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349    5.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1040    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  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  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 18  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  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  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  2  0  0  0  0
 22 23  2  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  6  1  0  0  0  0
 20 25  2  0  0  0  0
 22  9  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,192)
1192

>  <Formula> (1,192)
C21H18ClN3

>  <MolWeight> (1,192)
347.84072

>  <PCAT_CMPD_ID> (1,192)
WAY-345877

>  <CNC_ID> (1,192)
359433799

>  <transfer_container_id> (1,192)
PTN000000075

>  <COMPOUND_NUMBER> (1,192)
WAY-345877

>  <BAR_CODE_NO> (1,192)
2556545

>  <LOCATION_CODE> (1,192)
PTNCS

>  <AMOUNT_CURRENT> (1,192)
24.2

$$$$
WAY-345879
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.7516    3.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5572    2.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    3.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516    1.2993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2061    4.8834    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9634    2.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713    5.1454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6478    1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918    5.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0807    1.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3088    5.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516    7.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230    5.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    8.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2386    3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0141    6.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373    8.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2386    1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901    9.0538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0276    6.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821    4.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8508    4.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4284    6.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6914    0.0000 C   0  0  0  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  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12 24  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  3  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19  5  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  9  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  1  0  0  0  0
  4  5  1  0  0  0  0
 18 15  2  0  0  0  0
 25 12  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,193)
1193

>  <Formula> (1,193)
C21H25ClN2O2S

>  <MolWeight> (1,193)
404.9534

>  <PCAT_CMPD_ID> (1,193)
WAY-345879

>  <CNC_ID> (1,193)
359433801

>  <transfer_container_id> (1,193)
PTN000000075

>  <COMPOUND_NUMBER> (1,193)
WAY-345879

>  <BAR_CODE_NO> (1,193)
2556547

>  <LOCATION_CODE> (1,193)
PTNCS

>  <AMOUNT_CURRENT> (1,193)
32.9

$$$$
WAY-345880
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.5655    6.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    4.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062    6.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062    4.5624    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787    4.2681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4354    5.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787    7.0629    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7787    2.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9919    6.3642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    4.9668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787    8.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9919    2.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2051    7.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9919    4.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9919    9.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    9.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2051    4.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    6.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787   11.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7297    8.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   10.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9919   10.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787   12.7264    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6714    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    4.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3183    2.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8846    5.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411    0.7007    0.0000 C   0  0  0  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  7  1  0  0  0  0
 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  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 22  1  0  0  0  0
 21  3  1  0  0  0  0
 22 17  2  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25  6  1  0  0  0  0
 26 10  1  0  0  0  0
 27 30  1  0  0  0  0
 28 15  2  0  0  0  0
 29 15  1  0  0  0  0
 30 26  1  0  0  0  0
 31 28  1  0  0  0  0
 32 29  2  0  0  0  0
 33 32  1  0  0  0  0
  6  4  1  0  0  0  0
 20 23  2  0  0  0  0
 10 19  1  0  0  0  0
 33 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,194)
1194

>  <Formula> (1,194)
C26H30ClN3O2S

>  <MolWeight> (1,194)
484.0533

>  <PCAT_CMPD_ID> (1,194)
WAY-345880

>  <CNC_ID> (1,194)
359433802

>  <transfer_container_id> (1,194)
PTN000000075

>  <COMPOUND_NUMBER> (1,194)
WAY-345880

>  <BAR_CODE_NO> (1,194)
2556548

>  <LOCATION_CODE> (1,194)
PTNCS

>  <AMOUNT_CURRENT> (1,194)
32.9

$$$$
WAY-345924
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.5042   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -6.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -4.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -6.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -6.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8292   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167  -10.6250    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  9  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  2  1  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  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  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 16  2  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 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
  7  8  1  0  0  0  0
  6  4  2  0  0  0  0
 26 21  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,195)
1195

>  <Formula> (1,195)
C19H13N3O3S

>  <MolWeight> (1,195)
363.38982

>  <PCAT_CMPD_ID> (1,195)
WAY-345924

>  <CNC_ID> (1,195)
359433829

>  <transfer_container_id> (1,195)
PTN000000075

>  <COMPOUND_NUMBER> (1,195)
WAY-345924

>  <BAR_CODE_NO> (1,195)
2557570

>  <LOCATION_CODE> (1,195)
PTNCS

>  <AMOUNT_CURRENT> (1,195)
24.3

$$$$
WAY-345925
csChFnd80/11182011152D

 27 30  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
    7.8500   -3.9917    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
    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
   12.5000   -6.1417    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
   14.7792   -5.8500    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
   13.7125   -6.6667    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
    5.1542   -7.6417    0.0000 C   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
    4.8667   -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  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  2  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  4  1  0  0  0  0
 11  3  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 14  2  0  0  0  0
 18 14  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  2  0  0  0  0
 24 11  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
  7  8  1  0  0  0  0
  6  4  2  0  0  0  0
 27 25  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,196)
1196

>  <Formula> (1,196)
C19H12ClN3O3S

>  <MolWeight> (1,196)
397.83488

>  <PCAT_CMPD_ID> (1,196)
WAY-345925

>  <CNC_ID> (1,196)
359433830

>  <transfer_container_id> (1,196)
PTN000000075

>  <COMPOUND_NUMBER> (1,196)
WAY-345925

>  <BAR_CODE_NO> (1,196)
2557571

>  <LOCATION_CODE> (1,196)
PTNCS

>  <AMOUNT_CURRENT> (1,196)
27.9

$$$$
WAY-345948
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.8375   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -5.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -8.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -6.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -3.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -5.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -5.0292    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  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  2  0  0  0  0
  9 13  3  0  0  0  0
 10 14  3  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15  2  2  0  0  0  0
 16  5  1  0  0  0  0
 17  1  1  0  0  0  0
 18 16  1  0  0  0  0
 19 24  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  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 22  1  0  0  0  0
  6  3  1  0  0  0  0
 12 11  2  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,197)
1197

>  <Formula> (1,197)
C20H16N4O4

>  <MolWeight> (1,197)
376.36544

>  <PCAT_CMPD_ID> (1,197)
WAY-345948

>  <CNC_ID> (1,197)
359433852

>  <transfer_container_id> (1,197)
PTN000000075

>  <COMPOUND_NUMBER> (1,197)
WAY-345948

>  <BAR_CODE_NO> (1,197)
2556189

>  <LOCATION_CODE> (1,197)
PTNCS

>  <AMOUNT_CURRENT> (1,197)
32.7

$$$$
WAY-345999
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.8292    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -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  5  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  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  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 16  1  0  0  0  0
  4  3  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,198)
1198

>  <Formula> (1,198)
C10H11N5O2

>  <MolWeight> (1,198)
233.22664

>  <PCAT_CMPD_ID> (1,198)
WAY-345999

>  <CNC_ID> (1,198)
359433899

>  <transfer_container_id> (1,198)
PTN000000075

>  <COMPOUND_NUMBER> (1,198)
WAY-345999

>  <BAR_CODE_NO> (1,198)
2556378

>  <LOCATION_CODE> (1,198)
PTNCS

>  <AMOUNT_CURRENT> (1,198)
32.7

$$$$
WAY-346092
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4500   -6.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -6.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -5.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -7.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -5.0792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -2.1167    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
   14.1917  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667  -10.2042    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  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  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 18  2  0  0  0  0
 16 10  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  4  2  0  0  0  0
 21  6  2  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 21  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
  6  4  1  0  0  0  0
 15 17  1  0  0  0  0
 24 25  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,199)
1199

>  <Formula> (1,199)
C22H16FN3OS

>  <MolWeight> (1,199)
389.4453432

>  <PCAT_CMPD_ID> (1,199)
WAY-346092

>  <CNC_ID> (1,199)
359433991

>  <transfer_container_id> (1,199)
PTN000000075

>  <COMPOUND_NUMBER> (1,199)
WAY-346092

>  <BAR_CODE_NO> (1,199)
2556295

>  <LOCATION_CODE> (1,199)
PTNCS

>  <AMOUNT_CURRENT> (1,199)
32.4

$$$$
WAY-346203
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   10.0042   -4.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -5.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -3.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8542    1.6833    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 11  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  8  1  0  0  0  0
 10  7  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 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 17  2  0  0  0  0
  6  3  1  0  0  0  0
 18 16  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,200)
1200

>  <Formula> (1,200)
C11H8N4OS2

>  <MolWeight> (1,200)
276.33742

>  <PCAT_CMPD_ID> (1,200)
WAY-346203

>  <CNC_ID> (1,200)
359434094

>  <transfer_container_id> (1,200)
PTN000000075

>  <COMPOUND_NUMBER> (1,200)
WAY-346203

>  <BAR_CODE_NO> (1,200)
2556385

>  <LOCATION_CODE> (1,200)
PTNCS

>  <AMOUNT_CURRENT> (1,200)
32.7

$$$$
WAY-346234
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1750  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125  -12.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0917  -12.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250  -13.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -10.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -12.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667  -13.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917  -10.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792  -14.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -13.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125  -14.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542  -14.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792  -15.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667  -11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917  -15.5542    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  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 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
 21 16  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,201)
1201

>  <Formula> (1,201)
C17H24N2O2

>  <MolWeight> (1,201)
288.38466

>  <PCAT_CMPD_ID> (1,201)
WAY-346234

>  <CNC_ID> (1,201)
359434124

>  <transfer_container_id> (1,201)
PTN000000075

>  <COMPOUND_NUMBER> (1,201)
WAY-346234

>  <BAR_CODE_NO> (1,201)
2556416

>  <LOCATION_CODE> (1,201)
PTNCS

>  <AMOUNT_CURRENT> (1,201)
32.8

$$$$
WAY-346236
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.4375   -5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292   -6.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8500   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -6.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8917   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -3.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -4.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -7.8375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6625   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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  2  0  0  0  0
  8 14  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 16  1  0  0  0  0
 13  5  1  0  0  0  0
 14 17  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18  2  1  0  0  0  0
 19 18  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  8  1  0  0  0  0
 24 15  1  0  0  0  0
 22 15  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,202)
1202

>  <Formula> (1,202)
C20H29NO3

>  <MolWeight> (1,202)
331.44916

>  <PCAT_CMPD_ID> (1,202)
WAY-346236

>  <CNC_ID> (1,202)
359434126

>  <transfer_container_id> (1,202)
PTN000000075

>  <COMPOUND_NUMBER> (1,202)
WAY-346236

>  <BAR_CODE_NO> (1,202)
2556418

>  <LOCATION_CODE> (1,202)
PTNCS

>  <AMOUNT_CURRENT> (1,202)
32.6

$$$$
WAY-346250
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.9375   -8.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -6.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292  -10.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -9.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -7.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -8.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750  -12.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -6.1375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.1875   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9167  -10.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -1.3875    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  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  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 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  2  0  0  0  0
 21 10  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  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 21  1  0  0  0  0
 28 21  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
  4  2  1  0  0  0  0
 19 11  1  0  0  0  0
 20 26  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,203)
1203

>  <Formula> (1,203)
C23H17ClFN3O3

>  <MolWeight> (1,203)
437.8507832

>  <PCAT_CMPD_ID> (1,203)
WAY-346250

>  <CNC_ID> (1,203)
359434140

>  <transfer_container_id> (1,203)
PTN000000075

>  <COMPOUND_NUMBER> (1,203)
WAY-346250

>  <BAR_CODE_NO> (1,203)
2556432

>  <LOCATION_CODE> (1,203)
PTNCS

>  <AMOUNT_CURRENT> (1,203)
32.9

$$$$
WAY-346254
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.7654   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930    0.3310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7654   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8206    0.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1206    1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3896   -0.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7447   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2967    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8137    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8482    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -2.0241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3277   -0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932    1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8378    2.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8758    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8723    2.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   -2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001   -1.4172    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
  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  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 10  1  0  0  0  0
 18 20  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,204)
1204

>  <Formula> (1,204)
C18H19FN2O4S

>  <MolWeight> (1,204)
378.4178632

>  <PCAT_CMPD_ID> (1,204)
WAY-346254

>  <CNC_ID> (1,204)
359434144

>  <transfer_container_id> (1,204)
PTN000000075

>  <COMPOUND_NUMBER> (1,204)
WAY-346254

>  <BAR_CODE_NO> (1,204)
2556436

>  <LOCATION_CODE> (1,204)
PTNCS

>  <AMOUNT_CURRENT> (1,204)
32.3

$$$$
WAY-346273
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.6750   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -6.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -5.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -5.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -6.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -9.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417  -11.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.3792    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
    9.9917  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625  -12.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -2.2542    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  5  1  0  0  0  0
  5 12  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 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13  8  1  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  2  1  0  0  0  0
 18  3  1  0  0  0  0
 19 13  1  0  0  0  0
 20  4  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 20  1  0  0  0  0
 26 25  2  0  0  0  0
 13  7  2  0  0  0  0
 10 14  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,205)
1205

>  <Formula> (1,205)
C19H18N2O5

>  <MolWeight> (1,205)
354.35662

>  <PCAT_CMPD_ID> (1,205)
WAY-346273

>  <CNC_ID> (1,205)
359434162

>  <transfer_container_id> (1,205)
PTN000000075

>  <COMPOUND_NUMBER> (1,205)
WAY-346273

>  <BAR_CODE_NO> (1,205)
2556713

>  <LOCATION_CODE> (1,205)
PTNCS

>  <AMOUNT_CURRENT> (1,205)
32.4

$$$$
WAY-346274
csChFnd80/11182011152D

 28 29  0  0  0  0  0  0  0  0999 V2000
   12.8542   -7.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -10.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -3.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -5.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -8.9417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8792  -10.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3917   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917  -11.1042    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 15  1  0  0  0  0
  6 16  2  0  0  0  0
  7 21  1  0  0  0  0
  8  1  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 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 18  1  0  0  0  0
 15  4  2  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  2  2  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22  3  2  0  0  0  0
 23 13  2  0  0  0  0
 24 12  2  0  0  0  0
 25 13  1  0  0  0  0
 26 12  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
  7 20  1  0  0  0  0
 17  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,206)
1206

>  <Formula> (1,206)
C19H25N3O6

>  <MolWeight> (1,206)
391.4183

>  <PCAT_CMPD_ID> (1,206)
WAY-346274

>  <CNC_ID> (1,206)
359434163

>  <transfer_container_id> (1,206)
PTN000000075

>  <COMPOUND_NUMBER> (1,206)
WAY-346274

>  <BAR_CODE_NO> (1,206)
2556714

>  <LOCATION_CODE> (1,206)
PTNCS

>  <AMOUNT_CURRENT> (1,206)
32.6

$$$$
WAY-346373
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8334   10.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   11.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8334    9.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   10.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252    8.4315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    9.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   12.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    8.4137    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4854    4.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9021    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   11.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4854    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9021    4.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7116    4.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7116    2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    2.0944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2501    4.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    7.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2501    6.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3188    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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 20  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
  4  6  2  0  0  0  0
 22 23  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,207)
1207

>  <Formula> (1,207)
C18H18N2O3S

>  <MolWeight> (1,207)
342.41212

>  <PCAT_CMPD_ID> (1,207)
WAY-346373

>  <CNC_ID> (1,207)
359434262

>  <transfer_container_id> (1,207)
PTN000000075

>  <COMPOUND_NUMBER> (1,207)
WAY-346373

>  <BAR_CODE_NO> (1,207)
2556613

>  <LOCATION_CODE> (1,207)
PTNCS

>  <AMOUNT_CURRENT> (1,207)
32.8

$$$$
WAY-346438
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.5292   -5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -9.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -7.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    0.9458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    9.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -6.1375    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  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 17  1  0  0  0  0
 11  6  2  0  0  0  0
 12 15  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  2  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
 17 12  1  0  0  0  0
 18 20  2  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 21 18  1  0  0  0  0
 22  7  2  0  0  0  0
 23  8  2  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
  4  8  1  0  0  0  0
 23 24  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,208)
1208

>  <Formula> (1,208)
C17H12Cl2N2O3S

>  <MolWeight> (1,208)
395.25978

>  <PCAT_CMPD_ID> (1,208)
WAY-346438

>  <CNC_ID> (1,208)
359434326

>  <transfer_container_id> (1,208)
PTN000000075

>  <COMPOUND_NUMBER> (1,208)
WAY-346438

>  <BAR_CODE_NO> (1,208)
2556696

>  <LOCATION_CODE> (1,208)
PTNCS

>  <AMOUNT_CURRENT> (1,208)
32.8

$$$$
WAY-346457
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.5875   -7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5792  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -9.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7125  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292  -12.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -9.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542   -8.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917  -12.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167  -11.7375    0.0000 O   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
    8.5667   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125  -13.7167    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
   16.0000  -12.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542  -14.7042    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  1  1  0  0  0  0
  3  5  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  6  1  0  0  0  0
  8  2  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  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16  7  1  0  0  0  0
 17 10  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 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 20 17  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,209)
1209

>  <Formula> (1,209)
C17H24N2O4

>  <MolWeight> (1,209)
320.38346

>  <PCAT_CMPD_ID> (1,209)
WAY-346457

>  <CNC_ID> (1,209)
359434344

>  <transfer_container_id> (1,209)
PTN000000075

>  <COMPOUND_NUMBER> (1,209)
WAY-346457

>  <BAR_CODE_NO> (1,209)
2556777

>  <LOCATION_CODE> (1,209)
PTNCS

>  <AMOUNT_CURRENT> (1,209)
32.5

$$$$
WAY-346472
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.9375   -3.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -5.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8625   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -5.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -4.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -8.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4375   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0875   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  2  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  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  4  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  5  1  0  0  0  0
 16 10  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 19  1  0  0  0  0
  6 16  1  0  0  0  0
 19 18  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,210)
1210

>  <Formula> (1,210)
C14H15NO3S2

>  <MolWeight> (1,210)
309.4038

>  <PCAT_CMPD_ID> (1,210)
WAY-346472

>  <CNC_ID> (1,210)
359434359

>  <transfer_container_id> (1,210)
PTN000000075

>  <COMPOUND_NUMBER> (1,210)
WAY-346472

>  <BAR_CODE_NO> (1,210)
2556795

>  <LOCATION_CODE> (1,210)
PTNCS

>  <AMOUNT_CURRENT> (1,210)
32.3

$$$$
WAY-346480
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.8167   -4.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -4.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -3.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -4.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250   -5.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -5.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -6.6042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.9042   -2.9167    0.0000 Cl  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
   15.4750   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 13  1  0  0  0  0
  7  5  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  2  1  0  0  0  0
 13 19  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  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 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 24  1  0  0  0  0
 24 12  2  0  0  0  0
 25 11  1  0  0  0  0
 20 13  1  0  0  0  0
 25 23  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,211)
1211

>  <Formula> (1,211)
C15H15Cl2N3O3S2

>  <MolWeight> (1,211)
420.3339

>  <PCAT_CMPD_ID> (1,211)
WAY-346480

>  <CNC_ID> (1,211)
359434367

>  <transfer_container_id> (1,211)
PTN000000075

>  <COMPOUND_NUMBER> (1,211)
WAY-346480

>  <BAR_CODE_NO> (1,211)
2556732

>  <LOCATION_CODE> (1,211)
PTNCS

>  <AMOUNT_CURRENT> (1,211)
33

$$$$
WAY-346535
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.4167   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167    3.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.3292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -3.6792    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  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 21  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 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  2  2  0  0  0  0
 17  6  2  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20  7  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  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  3  2  0  0  0  0
 27 10  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 22  8  1  0  0  0  0
 29 27  1  0  0  0  0
  4 12  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,212)
1212

>  <Formula> (1,212)
C22H20FN3O3

>  <MolWeight> (1,212)
393.4109032

>  <PCAT_CMPD_ID> (1,212)
WAY-346535

>  <CNC_ID> (1,212)
359434420

>  <transfer_container_id> (1,212)
PTN000000075

>  <COMPOUND_NUMBER> (1,212)
WAY-346535

>  <BAR_CODE_NO> (1,212)
2556693

>  <LOCATION_CODE> (1,212)
PTNCS

>  <AMOUNT_CURRENT> (1,212)
26.82

$$$$
WAY-346568
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   12.0500   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -3.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917   -6.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -7.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.9542    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  8  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  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  5  1  0  0  0  0
 13  2  2  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 19 17  1  0  0  0  0
  9  4  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,213)
1213

>  <Formula> (1,213)
C16H14FNO

>  <MolWeight> (1,213)
255.2868632

>  <PCAT_CMPD_ID> (1,213)
WAY-346568

>  <CNC_ID> (1,213)
359434453

>  <transfer_container_id> (1,213)
PTN000000075

>  <COMPOUND_NUMBER> (1,213)
WAY-346568

>  <BAR_CODE_NO> (1,213)
2557514

>  <LOCATION_CODE> (1,213)
PTNCS

>  <AMOUNT_CURRENT> (1,213)
32.1

$$$$
WAY-346583
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.6667  -11.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542  -10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -9.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3667   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625  -12.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917  -10.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000  -11.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667  -12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750  -13.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875  -14.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542  -14.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625  -15.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750  -15.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667  -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  1  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  7  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 12  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 13  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
  5  4  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,214)
1214

>  <Formula> (1,214)
C18H18N2O2

>  <MolWeight> (1,214)
294.34772

>  <PCAT_CMPD_ID> (1,214)
WAY-346583

>  <CNC_ID> (1,214)
359434468

>  <transfer_container_id> (1,214)
PTN000000075

>  <COMPOUND_NUMBER> (1,214)
WAY-346583

>  <BAR_CODE_NO> (1,214)
2556994

>  <LOCATION_CODE> (1,214)
PTNCS

>  <AMOUNT_CURRENT> (1,214)
32.4

$$$$
WAY-346585
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.9667  -11.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -9.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6417   -9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -8.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417  -10.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500  -11.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125  -13.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -6.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500  -14.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667  -14.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792  -15.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417  -15.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125  -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  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 10  2  0  0  0  0
 12  7  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 17  2  0  0  0  0
 17 10  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 15  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
 23 24  2  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,215)
1215

>  <Formula> (1,215)
C19H20N2O3

>  <MolWeight> (1,215)
324.3737

>  <PCAT_CMPD_ID> (1,215)
WAY-346585

>  <CNC_ID> (1,215)
359434470

>  <transfer_container_id> (1,215)
PTN000000075

>  <COMPOUND_NUMBER> (1,215)
WAY-346585

>  <BAR_CODE_NO> (1,215)
2556996

>  <LOCATION_CODE> (1,215)
PTNCS

>  <AMOUNT_CURRENT> (1,215)
32.7

$$$$
WAY-346605
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   11.2792   -4.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292  -10.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750   -3.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1750  -11.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792  -10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167  -11.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625  -13.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542  -11.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792  -13.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750  -11.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625  -13.1167    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 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 12  2  0  0  0  0
 17 25  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 18  1  0  0  0  0
 25 19  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
 17 24  1  0  0  0  0
  4  2  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,216)
1216

>  <Formula> (1,216)
C18H25N3O6S

>  <MolWeight> (1,216)
411.4726

>  <PCAT_CMPD_ID> (1,216)
WAY-346605

>  <CNC_ID> (1,216)
359434488

>  <transfer_container_id> (1,216)
PTN000000075

>  <COMPOUND_NUMBER> (1,216)
WAY-346605

>  <BAR_CODE_NO> (1,216)
2560634

>  <LOCATION_CODE> (1,216)
PTNCS

>  <AMOUNT_CURRENT> (1,216)
32.3

$$$$
WAY-346647
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.3917   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -1.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.1958    0.0000 C   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
  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  2  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  6  1  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 13  1  0  0  0  0
  4  6  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,217)
1217

>  <Formula> (1,217)
C11H16N2OS

>  <MolWeight> (1,217)
224.32254

>  <PCAT_CMPD_ID> (1,217)
WAY-346647

>  <CNC_ID> (1,217)
359434530

>  <transfer_container_id> (1,217)
PTN000000075

>  <COMPOUND_NUMBER> (1,217)
WAY-346647

>  <BAR_CODE_NO> (1,217)
2557097

>  <LOCATION_CODE> (1,217)
PTNCS

>  <AMOUNT_CURRENT> (1,217)
32.2

$$$$
WAY-346670
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.3542   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -5.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -7.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -2.6917    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
   10.7667   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -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  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 17  2  0  0  0  0
  9 12  2  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 11  1  0  0  0  0
 14 23  1  0  0  0  0
 15 22  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  2  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 20  1  0  0  0  0
  5  3  1  0  0  0  0
 16  8  1  0  0  0  0
 21 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,218)
1218

>  <Formula> (1,218)
C16H15ClN4OS

>  <MolWeight> (1,218)
346.8345

>  <PCAT_CMPD_ID> (1,218)
WAY-346670

>  <CNC_ID> (1,218)
359434553

>  <transfer_container_id> (1,218)
PTN000000075

>  <COMPOUND_NUMBER> (1,218)
WAY-346670

>  <BAR_CODE_NO> (1,218)
2556835

>  <LOCATION_CODE> (1,218)
PTNCS

>  <AMOUNT_CURRENT> (1,218)
30.3

$$$$
WAY-346711
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   12.7875   -7.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -8.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -9.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -5.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -9.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -9.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250  -10.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -6.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -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  1  1  0  0  0  0
  4 11  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  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10 18  2  0  0  0  0
 11 16  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  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  2  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
 21 10  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24 19  1  0  0  0  0
 25 26  2  0  0  0  0
 26 15  1  0  0  0  0
 27 25  1  0  0  0  0
 28 21  1  0  0  0  0
 29 24  1  0  0  0  0
 30 23  2  0  0  0  0
 31 22  2  0  0  0  0
  6  7  2  0  0  0  0
 30 31  1  0  0  0  0
 10  4  1  0  0  0  0
 19 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,219)
1219

>  <Formula> (1,219)
C24H20N2O5

>  <MolWeight> (1,219)
416.426

>  <PCAT_CMPD_ID> (1,219)
WAY-346711

>  <CNC_ID> (1,219)
359434595

>  <transfer_container_id> (1,219)
PTN000000075

>  <COMPOUND_NUMBER> (1,219)
WAY-346711

>  <BAR_CODE_NO> (1,219)
2556914

>  <LOCATION_CODE> (1,219)
PTNCS

>  <AMOUNT_CURRENT> (1,219)
32.2

$$$$
WAY-346737
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.2042   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -4.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -6.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -3.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -5.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -8.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -5.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  1  2  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 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
  5  6  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,220)
1220

>  <Formula> (1,220)
C11H13N3O3S

>  <MolWeight> (1,220)
267.30422

>  <PCAT_CMPD_ID> (1,220)
WAY-346737

>  <CNC_ID> (1,220)
359434619

>  <transfer_container_id> (1,220)
PTN000000075

>  <COMPOUND_NUMBER> (1,220)
WAY-346737

>  <BAR_CODE_NO> (1,220)
2556975

>  <LOCATION_CODE> (1,220)
PTNCS

>  <AMOUNT_CURRENT> (1,220)
32.4

$$$$
WAY-346753
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   10.3750   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -4.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -6.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -3.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -3.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3625   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    2.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917    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  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  8  1  0  0  0  0
 11 20  1  0  0  0  0
 12  6  1  0  0  0  0
 13 25  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 12  1  0  0  0  0
 20 19  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 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 21  1  0  0  0  0
  5  3  1  0  0  0  0
 10  7  2  0  0  0  0
 16 18  2  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,221)
1221

>  <Formula> (1,221)
C19H22N4O2S

>  <MolWeight> (1,221)
370.46858

>  <PCAT_CMPD_ID> (1,221)
WAY-346753

>  <CNC_ID> (1,221)
359434634

>  <transfer_container_id> (1,221)
PTN000000075

>  <COMPOUND_NUMBER> (1,221)
WAY-346753

>  <BAR_CODE_NO> (1,221)
2556961

>  <LOCATION_CODE> (1,221)
PTNCS

>  <AMOUNT_CURRENT> (1,221)
29

$$$$
WAY-346787
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.1667  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -11.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -9.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667  -10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750  -12.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -7.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -9.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750  -12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875  -11.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875  -13.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792  -13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875  -14.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792  -14.1292    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  1  0  0  0  0
  5  8  2  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  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 14  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  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 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
  7  3  2  0  0  0  0
 19 22  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
C16H16N2O4

>  <MolWeight> (1,222)
300.30924

>  <PCAT_CMPD_ID> (1,222)
WAY-346787

>  <CNC_ID> (1,222)
359434668

>  <transfer_container_id> (1,222)
PTN000000075

>  <COMPOUND_NUMBER> (1,222)
WAY-346787

>  <BAR_CODE_NO> (1,222)
2557073

>  <LOCATION_CODE> (1,222)
PTNCS

>  <AMOUNT_CURRENT> (1,222)
32.9

$$$$
WAY-346792
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.9792   -5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -7.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500  -11.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042  -12.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375  -10.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875  -13.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417  -15.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542    1.4833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6875   -1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.2542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1917  -15.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542  -15.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042  -13.6042    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  9  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  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 14  2  0  0  0  0
 12  2  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  4  2  0  0  0  0
 17  7  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 10  1  0  0  0  0
 21  8  1  0  0  0  0
 22 14  1  0  0  0  0
 23 19  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
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
  3  5  1  0  0  0  0
 10 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
C19H14Cl2N2O5

>  <MolWeight> (1,223)
421.23086

>  <PCAT_CMPD_ID> (1,223)
WAY-346792

>  <CNC_ID> (1,223)
359434673

>  <transfer_container_id> (1,223)
PTN000000075

>  <COMPOUND_NUMBER> (1,223)
WAY-346792

>  <BAR_CODE_NO> (1,223)
2557078

>  <LOCATION_CODE> (1,223)
PTNCS

>  <AMOUNT_CURRENT> (1,223)
32.2

$$$$
WAY-346794
csChFnd80/11182011152D

 25 27  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
    6.8667   -7.5667    0.0000 C   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
    5.3667  -10.1750    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
    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
    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
    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
   10.7875  -15.1500    0.0000 C   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
   10.0292   -2.0417    0.0000 O   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
    5.3625   -2.4917    0.0000 C   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
    4.8625   -0.8042    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
  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  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 21  2  0  0  0  0
 16 15  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 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  7  2  0  0  0  0
 23  9  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
  2  3  1  0  0  0  0
 25 23  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,224)
1224

>  <Formula> (1,224)
C18H13ClN2O4

>  <MolWeight> (1,224)
356.75982

>  <PCAT_CMPD_ID> (1,224)
WAY-346794

>  <CNC_ID> (1,224)
359434675

>  <transfer_container_id> (1,224)
PTN000000075

>  <COMPOUND_NUMBER> (1,224)
WAY-346794

>  <BAR_CODE_NO> (1,224)
2557081

>  <LOCATION_CODE> (1,224)
PTNCS

>  <AMOUNT_CURRENT> (1,224)
32.6

$$$$
WAY-346812
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.7292   -6.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -5.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -6.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625  -10.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.0042    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
    8.7417   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2750    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2167    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8625   -7.0417    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 12  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 11  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15  5  1  0  0  0  0
 16  9  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 18  2  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 15  2  0  0  0  0
 24 15  1  0  0  0  0
 25 21  1  0  0  0  0
 26 19  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
 30 26  1  0  0  0  0
 13 22  2  0  0  0  0
 25 30  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,225)
1225

>  <Formula> (1,225)
C21H23N3O5S

>  <MolWeight> (1,225)
429.48942

>  <PCAT_CMPD_ID> (1,225)
WAY-346812

>  <CNC_ID> (1,225)
359434693

>  <transfer_container_id> (1,225)
PTN000000075

>  <COMPOUND_NUMBER> (1,225)
WAY-346812

>  <BAR_CODE_NO> (1,225)
2557040

>  <LOCATION_CODE> (1,225)
PTNCS

>  <AMOUNT_CURRENT> (1,225)
32.9

$$$$
WAY-346826
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2657    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278   -0.2031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7071   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8278    0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7071    0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5032    0.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653   -0.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446   -0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929    0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3929   -0.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343   -0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2722    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
  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> (1,226)
1226

>  <Formula> (1,226)
C18H16N2O

>  <MolWeight> (1,226)
276.33244

>  <PCAT_CMPD_ID> (1,226)
WAY-346826

>  <CNC_ID> (1,226)
359434706

>  <transfer_container_id> (1,226)
PTN000000075

>  <COMPOUND_NUMBER> (1,226)
WAY-346826

>  <BAR_CODE_NO> (1,226)
2557005

>  <LOCATION_CODE> (1,226)
PTNCS

>  <AMOUNT_CURRENT> (1,226)
32.2

$$$$
WAY-346831
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   12.0125   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792    1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -2.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0917   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -4.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -2.4167    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
    5.3792    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9167   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -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  5  1  0  0  0  0
  5 12  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  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11 19  2  0  0  0  0
 12 16  1  0  0  0  0
 13  3  2  0  0  0  0
 14  2  2  0  0  0  0
 15  4  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
 21 11  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24 26  2  0  0  0  0
 25 17  2  0  0  0  0
 26 18  1  0  0  0  0
 27 18  1  0  0  0  0
 28 17  1  0  0  0  0
 29 21  1  0  0  0  0
 30 23  2  0  0  0  0
 31 22  2  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
  6  7  2  0  0  0  0
 30 31  1  0  0  0  0
 11  5  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C27H26N2O4

>  <MolWeight> (1,227)
442.50634

>  <PCAT_CMPD_ID> (1,227)
WAY-346831

>  <CNC_ID> (1,227)
359434711

>  <transfer_container_id> (1,227)
PTN000000075

>  <COMPOUND_NUMBER> (1,227)
WAY-346831

>  <BAR_CODE_NO> (1,227)
2557010

>  <LOCATION_CODE> (1,227)
PTNCS

>  <AMOUNT_CURRENT> (1,227)
32.3

$$$$
WAY-346873
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   11.9250   -6.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -8.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -2.9375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8125   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -4.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -9.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.7667    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 12  1  0  0  0  0
 11  1  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  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 10  2  0  0  0  0
 19  9  1  0  0  0  0
 20  4  2  0  0  0  0
 21  8  2  0  0  0  0
 22 16  1  0  0  0  0
 23 16  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 26  2  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
  8  3  1  0  0  0  0
 21 27  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C22H23N3O5

>  <MolWeight> (1,228)
409.43512

>  <PCAT_CMPD_ID> (1,228)
WAY-346873

>  <CNC_ID> (1,228)
359434751

>  <transfer_container_id> (1,228)
PTN000000075

>  <COMPOUND_NUMBER> (1,228)
WAY-346873

>  <BAR_CODE_NO> (1,228)
2557232

>  <LOCATION_CODE> (1,228)
PTNCS

>  <AMOUNT_CURRENT> (1,228)
29.3

$$$$
WAY-347022
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2167   -7.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -5.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -6.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -7.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -3.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000   -7.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -1.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -0.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -0.1667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042  -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  1  1  0  0  0  0
  4  5  1  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
  8 16  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 17  2  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  2  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  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 24  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 23  1  0  0  0  0
 27  3  1  0  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 29 30  1  0  0  0  0
 11  6  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C19H18F4N2O4S

>  <MolWeight> (1,229)
446.4158328

>  <PCAT_CMPD_ID> (1,229)
WAY-347022

>  <CNC_ID> (1,229)
359434898

>  <transfer_container_id> (1,229)
PTN000000075

>  <COMPOUND_NUMBER> (1,229)
WAY-347022

>  <BAR_CODE_NO> (1,229)
2557247

>  <LOCATION_CODE> (1,229)
PTNCS

>  <AMOUNT_CURRENT> (1,229)
32.5

$$$$
WAY-347031
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.5792   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -3.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -3.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -5.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -5.7875    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
    9.0042   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -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  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5 11  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 12  2  0  0  0  0
 10  9  1  0  0  0  0
 11 17  2  0  0  0  0
 12  7  1  0  0  0  0
 13 19  1  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 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 20  2  0  0  0  0
 20 12  1  0  0  0  0
 21 10  1  0  0  0  0
 22  3  1  0  0  0  0
 23 13  1  0  0  0  0
 24  6  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
  6  4  1  0  0  0  0
 11 18  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C20H21N3O3

>  <MolWeight> (1,230)
351.39904

>  <PCAT_CMPD_ID> (1,230)
WAY-347031

>  <CNC_ID> (1,230)
359434907

>  <transfer_container_id> (1,230)
PTN000000075

>  <COMPOUND_NUMBER> (1,230)
WAY-347031

>  <BAR_CODE_NO> (1,230)
2557297

>  <LOCATION_CODE> (1,230)
PTNCS

>  <AMOUNT_CURRENT> (1,230)
32.9

$$$$
WAY-347045
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2417   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -3.6292    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  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  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  5  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 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 10  6  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
C12H11NO2S

>  <MolWeight> (1,231)
233.28624

>  <PCAT_CMPD_ID> (1,231)
WAY-347045

>  <CNC_ID> (1,231)
359434919

>  <transfer_container_id> (1,231)
PTN000000075

>  <COMPOUND_NUMBER> (1,231)
WAY-347045

>  <BAR_CODE_NO> (1,231)
2557643

>  <LOCATION_CODE> (1,231)
PTNCS

>  <AMOUNT_CURRENT> (1,231)
33

$$$$
WAY-347047
csChFnd80/11182011152D

 19 21  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
    0.6167   -2.0542    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
   -0.1333   -0.9375    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
    0.0542   -3.1667    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
   -1.1958   -3.2375    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
   -0.8583   -3.7667    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  2  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  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  5  1  0  0  0  0
 13 14  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  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
  3  4  1  0  0  0  0
 18 19  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C15H19N3O

>  <MolWeight> (1,232)
257.33086

>  <PCAT_CMPD_ID> (1,232)
WAY-347047

>  <CNC_ID> (1,232)
359434921

>  <transfer_container_id> (1,232)
PTN000000075

>  <COMPOUND_NUMBER> (1,232)
WAY-347047

>  <BAR_CODE_NO> (1,232)
2557644

>  <LOCATION_CODE> (1,232)
PTNCS

>  <AMOUNT_CURRENT> (1,232)
33

$$$$
WAY-347074
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.2042   -5.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -4.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -4.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9375   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -6.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -5.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667  -11.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917  -11.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -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  3  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  2  0  0  0  0
 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  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
  5  4  1  0  0  0  0
 15 18  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C20H20N2O5

>  <MolWeight> (1,233)
368.3832

>  <PCAT_CMPD_ID> (1,233)
WAY-347074

>  <CNC_ID> (1,233)
359434946

>  <transfer_container_id> (1,233)
PTN000000075

>  <COMPOUND_NUMBER> (1,233)
WAY-347074

>  <BAR_CODE_NO> (1,233)
2557271

>  <LOCATION_CODE> (1,233)
PTNCS

>  <AMOUNT_CURRENT> (1,233)
32.5

$$$$
WAY-347080
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   12.9042  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542  -12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500  -11.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375  -12.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -9.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417  -13.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7792  -13.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7167   -8.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875  -14.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667  -14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8125  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -6.2042    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  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  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 15  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 16  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
  2  3  1  0  0  0  0
 10 14  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C17H21NO2

>  <MolWeight> (1,234)
271.35414

>  <PCAT_CMPD_ID> (1,234)
WAY-347080

>  <CNC_ID> (1,234)
359434951

>  <transfer_container_id> (1,234)
PTN000000075

>  <COMPOUND_NUMBER> (1,234)
WAY-347080

>  <BAR_CODE_NO> (1,234)
2557277

>  <LOCATION_CODE> (1,234)
PTNCS

>  <AMOUNT_CURRENT> (1,234)
32.5

$$$$
WAY-347089
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.2042  -11.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042  -10.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417   -9.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -6.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -4.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -9.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292  -11.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5125   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -13.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8417   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -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  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  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17  1  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 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 17  1  0  0  0  0
 25 26  1  0  0  0  0
 26 18  2  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
  5  2  1  0  0  0  0
 19 25  2  0  0  0  0
  7 10  1  0  0  0  0
 22 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,235)
1235

>  <Formula> (1,235)
C23H22N2O3

>  <MolWeight> (1,235)
374.43238

>  <PCAT_CMPD_ID> (1,235)
WAY-347089

>  <CNC_ID> (1,235)
359434960

>  <transfer_container_id> (1,235)
PTN000000075

>  <COMPOUND_NUMBER> (1,235)
WAY-347089

>  <BAR_CODE_NO> (1,235)
2557358

>  <LOCATION_CODE> (1,235)
PTNCS

>  <AMOUNT_CURRENT> (1,235)
32.9

$$$$
WAY-347100
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4090    4.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5056    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2044    4.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5101    6.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079    6.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1954    9.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8988    8.5003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090    2.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8988    6.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2044    2.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045    4.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2044    7.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942   10.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045    9.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    6.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1954    4.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2022    7.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5056    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079   10.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    8.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2044    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034    8.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7017    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  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  9  5  2  0  0  0  0
 10 16  1  0  0  0  0
 11  2  2  0  0  0  0
 12  1  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 12  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 20  2  0  0  0  0
 20  9  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  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
  2  3  1  0  0  0  0
 11 19  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C20H17NO5

>  <MolWeight> (1,236)
351.35268

>  <PCAT_CMPD_ID> (1,236)
WAY-347100

>  <CNC_ID> (1,236)
359434971

>  <transfer_container_id> (1,236)
PTN000000075

>  <COMPOUND_NUMBER> (1,236)
WAY-347100

>  <BAR_CODE_NO> (1,236)
2557336

>  <LOCATION_CODE> (1,236)
PTNCS

>  <AMOUNT_CURRENT> (1,236)
32.4

$$$$
WAY-347119
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
    7.4917   -6.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -8.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -8.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -9.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -9.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -7.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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 10  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  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  7  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 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 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 22  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 28  1  0  0  0  0
 32 30  2  0  0  0  0
  3  5  1  0  0  0  0
 20 18  1  0  0  0  0
 27 31  2  0  0  0  0
  7  6  2  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,237)
1237

>  <Formula> (1,237)
C24H19N5O2S

>  <MolWeight> (1,237)
441.50496

>  <PCAT_CMPD_ID> (1,237)
WAY-347119

>  <CNC_ID> (1,237)
359434990

>  <transfer_container_id> (1,237)
PTN000000075

>  <COMPOUND_NUMBER> (1,237)
WAY-347119

>  <BAR_CODE_NO> (1,237)
2557326

>  <LOCATION_CODE> (1,237)
PTNCS

>  <AMOUNT_CURRENT> (1,237)
32.6

$$$$
WAY-347142
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.9042  -10.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -9.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667  -11.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292  -10.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375  -11.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042  -12.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -5.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0042  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917  -12.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8792  -12.7417    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  6  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 17  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20  8  2  0  0  0  0
 21  8  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
  2  5  1  0  0  0  0
 23 24  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,238)
1238

>  <Formula> (1,238)
C19H18FN3O

>  <MolWeight> (1,238)
323.3641232

>  <PCAT_CMPD_ID> (1,238)
WAY-347142

>  <CNC_ID> (1,238)
359435013

>  <transfer_container_id> (1,238)
PTN000000075

>  <COMPOUND_NUMBER> (1,238)
WAY-347142

>  <BAR_CODE_NO> (1,238)
2557378

>  <LOCATION_CODE> (1,238)
PTNCS

>  <AMOUNT_CURRENT> (1,238)
32.9

$$$$
WAY-347144
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.9875   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -1.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -3.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.8625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    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  9  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  3  2  0  0  0  0
  8  3  1  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 21  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  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  8  1  0  0  0  0
 20  5  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  2  0  0  0  0
 23 22  1  0  0  0  0
 20 23  2  0  0  0  0
 10 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C17H15BrFNO3

>  <MolWeight> (1,239)
380.2083032

>  <PCAT_CMPD_ID> (1,239)
WAY-347144

>  <CNC_ID> (1,239)
359435015

>  <transfer_container_id> (1,239)
PTN000000075

>  <COMPOUND_NUMBER> (1,239)
WAY-347144

>  <BAR_CODE_NO> (1,239)
2557380

>  <LOCATION_CODE> (1,239)
PTNCS

>  <AMOUNT_CURRENT> (1,239)
32.1

$$$$
WAY-347161
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   14.2417   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4917   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -8.5792    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  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 10  2  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16 17  1  0  0  0  0
 17  9  2  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 12  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  2  0  0  0  0
 24 20  1  0  0  0  0
 21 24  1  0  0  0  0
 14 22  2  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C20H24N2O2

>  <MolWeight> (1,240)
324.41676

>  <PCAT_CMPD_ID> (1,240)
WAY-347161

>  <CNC_ID> (1,240)
359435031

>  <transfer_container_id> (1,240)
PTN000000075

>  <COMPOUND_NUMBER> (1,240)
WAY-347161

>  <BAR_CODE_NO> (1,240)
2557363

>  <LOCATION_CODE> (1,240)
PTNCS

>  <AMOUNT_CURRENT> (1,240)
32.3

$$$$
WAY-347177
csChFnd80/11182011152D

 24 27  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
   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
   10.6042   -3.9667    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
    7.3292   -2.8917    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
    5.3917   -3.3125    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
    4.7792   -5.2042    0.0000 F   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
    7.9542   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792    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  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  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  2  0  0  0  0
 22 13  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
 16 19  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C17H12F2N4S

>  <MolWeight> (1,241)
342.3657864

>  <PCAT_CMPD_ID> (1,241)
WAY-347177

>  <CNC_ID> (1,241)
359435046

>  <transfer_container_id> (1,241)
PTN000000075

>  <COMPOUND_NUMBER> (1,241)
WAY-347177

>  <BAR_CODE_NO> (1,241)
2557415

>  <LOCATION_CODE> (1,241)
PTNCS

>  <AMOUNT_CURRENT> (1,241)
32.8

$$$$
WAY-347179
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.8625   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500  -10.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -5.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292  -13.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417  -11.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875  -13.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042  -13.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667  -11.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.8167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -3.7167    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  3  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 15  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 23  2  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22  8  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
  8  5  2  0  0  0  0
  6  7  2  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C16H14ClN3O3S

>  <MolWeight> (1,242)
363.81866

>  <PCAT_CMPD_ID> (1,242)
WAY-347179

>  <CNC_ID> (1,242)
359435048

>  <transfer_container_id> (1,242)
PTN000000075

>  <COMPOUND_NUMBER> (1,242)
WAY-347179

>  <BAR_CODE_NO> (1,242)
2557417

>  <LOCATION_CODE> (1,242)
PTNCS

>  <AMOUNT_CURRENT> (1,242)
32.7

$$$$
WAY-347184
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.6667   -7.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292   -8.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -4.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -6.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -5.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -9.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -4.6917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -0.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   -6.7875    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
   15.4417   -6.8417    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  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 13  1  0  0  0  0
  8  2  2  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  2  0  0  0  0
 13 17  1  0  0  0  0
 14  9  1  0  0  0  0
 15 20  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18  2  1  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  3  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
 23  8  1  0  0  0  0
 15  6  2  0  0  0  0
M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C15H11Cl3N2O4

>  <MolWeight> (1,243)
389.61784

>  <PCAT_CMPD_ID> (1,243)
WAY-347184

>  <CNC_ID> (1,243)
359435053

>  <transfer_container_id> (1,243)
PTN000000075

>  <COMPOUND_NUMBER> (1,243)
WAY-347184

>  <BAR_CODE_NO> (1,243)
2557422

>  <LOCATION_CODE> (1,243)
PTNCS

>  <AMOUNT_CURRENT> (1,243)
32.2

$$$$
WAY-347242
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4107    8.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061    7.6975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    7.4491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    6.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858    6.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    9.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061   10.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8106    3.7433    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    4.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933    2.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061   11.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853    2.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    1.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337    1.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3684    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7916    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  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  6  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 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 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  5  4  2  0  0  0  0
  9  7  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C15H14N2S

>  <MolWeight> (1,244)
254.35006

>  <PCAT_CMPD_ID> (1,244)
WAY-347242

>  <CNC_ID> (1,244)
359435111

>  <transfer_container_id> (1,244)
PTN000000075

>  <COMPOUND_NUMBER> (1,244)
WAY-347242

>  <BAR_CODE_NO> (1,244)
2558895

>  <LOCATION_CODE> (1,244)
PTNCS

>  <AMOUNT_CURRENT> (1,244)
32.8

$$$$
WAY-347246
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.9792    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    5.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    5.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167    4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417    0.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042    8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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  5  1  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  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  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
  3  9  2  0  0  0  0
 11 12  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,245)
1245

>  <Formula> (1,245)
C16H15N3OS

>  <MolWeight> (1,245)
297.3748

>  <PCAT_CMPD_ID> (1,245)
WAY-347246

>  <CNC_ID> (1,245)
359435115

>  <transfer_container_id> (1,245)
PTN000000075

>  <COMPOUND_NUMBER> (1,245)
WAY-347246

>  <BAR_CODE_NO> (1,245)
2558899

>  <LOCATION_CODE> (1,245)
PTNCS

>  <AMOUNT_CURRENT> (1,245)
32.5

$$$$
WAY-347256
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.6292   -6.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -8.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -2.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9250   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8792   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -6.3375    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  6  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  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  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 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
  7  5  1  0  0  0  0
 17 21  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,246)
1246

>  <Formula> (1,246)
C17H16N2O2

>  <MolWeight> (1,246)
280.32114

>  <PCAT_CMPD_ID> (1,246)
WAY-347256

>  <CNC_ID> (1,246)
359435125

>  <transfer_container_id> (1,246)
PTN000000075

>  <COMPOUND_NUMBER> (1,246)
WAY-347256

>  <BAR_CODE_NO> (1,246)
2559460

>  <LOCATION_CODE> (1,246)
PTNCS

>  <AMOUNT_CURRENT> (1,246)
32.1

$$$$
WAY-347279
csChFnd80/11182011152D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.5750    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    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  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,247)
1247

>  <Formula> (1,247)
C11H22N2

>  <MolWeight> (1,247)
182.30578

>  <PCAT_CMPD_ID> (1,247)
WAY-347279

>  <CNC_ID> (1,247)
359435148

>  <transfer_container_id> (1,247)
PTN000000075

>  <COMPOUND_NUMBER> (1,247)
WAY-347279

>  <BAR_CODE_NO> (1,247)
2560962

>  <LOCATION_CODE> (1,247)
PTNCS

>  <AMOUNT_CURRENT> (1,247)
32.8

$$$$
WAY-347297
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   13.7792  -13.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500  -12.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000  -14.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1792  -14.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542  -12.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417  -14.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667  -11.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792  -15.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917  -11.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042  -15.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -9.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250  -12.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542  -11.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125  -11.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792  -12.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -6.5167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10  1  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  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  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20  4  1  0  0  0  0
 21 14  2  0  0  0  0
 22 17  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
  8  3  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,248)
1248

>  <Formula> (1,248)
C15H18FNO6S

>  <MolWeight> (1,248)
359.3699232

>  <PCAT_CMPD_ID> (1,248)
WAY-347297

>  <CNC_ID> (1,248)
359435165

>  <transfer_container_id> (1,248)
PTN000000075

>  <COMPOUND_NUMBER> (1,248)
WAY-347297

>  <BAR_CODE_NO> (1,248)
2557437

>  <LOCATION_CODE> (1,248)
PTNCS

>  <AMOUNT_CURRENT> (1,248)
32.7

$$$$
WAY-347309
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.3292   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -6.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -9.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -7.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -9.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542  -10.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5917  -11.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167  -10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500  -12.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875   -8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792  -12.5667    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  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 10  1  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 19  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  2  0  0  0  0
 16 14  1  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
  5  6  2  0  0  0  0
 15 14  1  0  0  0  0
 20 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,249)
1249

>  <Formula> (1,249)
C13H14FN3O2S

>  <MolWeight> (1,249)
295.3325632

>  <PCAT_CMPD_ID> (1,249)
WAY-347309

>  <CNC_ID> (1,249)
359435177

>  <transfer_container_id> (1,249)
PTN000000075

>  <COMPOUND_NUMBER> (1,249)
WAY-347309

>  <BAR_CODE_NO> (1,249)
2557444

>  <LOCATION_CODE> (1,249)
PTNCS

>  <AMOUNT_CURRENT> (1,249)
32.3

$$$$
WAY-347315
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.6375   -5.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -6.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -7.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417  -10.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042  -11.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292  -12.6042    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  3  1  0  0  0  0
  6  5  2  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  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  2  0  0  0  0
 16 18  1  0  0  0  0
 17 14  2  0  0  0  0
 18 12  2  0  0  0  0
 19  8  1  0  0  0  0
 20  5  1  0  0  0  0
 21 12  1  0  0  0  0
 22  6  1  0  0  0  0
 23 14  1  0  0  0  0
 24 21  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
  4  6  1  0  0  0  0
 26 22  2  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,250)
1250

>  <Formula> (1,250)
C20H18N2O5

>  <MolWeight> (1,250)
366.36732

>  <PCAT_CMPD_ID> (1,250)
WAY-347315

>  <CNC_ID> (1,250)
359435182

>  <transfer_container_id> (1,250)
PTN000000075

>  <COMPOUND_NUMBER> (1,250)
WAY-347315

>  <BAR_CODE_NO> (1,250)
2557464

>  <LOCATION_CODE> (1,250)
PTNCS

>  <AMOUNT_CURRENT> (1,250)
32.2

$$$$
WAY-347349
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.7542   -5.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -2.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -5.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -5.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -1.6125    0.0000 C   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
   13.8750   -6.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2792   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -2.8625    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  9  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 12  1  0  0  0  0
 10  4  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  3  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  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 10  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 25 15  1  0  0  0  0
 24 19  1  0  0  0  0
 17 12  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,251)
1251

>  <Formula> (1,251)
C15H18N4O4S2

>  <MolWeight> (1,251)
382.45782

>  <PCAT_CMPD_ID> (1,251)
WAY-347349

>  <CNC_ID> (1,251)
359435212

>  <transfer_container_id> (1,251)
PTN000000075

>  <COMPOUND_NUMBER> (1,251)
WAY-347349

>  <BAR_CODE_NO> (1,251)
2557522

>  <LOCATION_CODE> (1,251)
PTNCS

>  <AMOUNT_CURRENT> (1,251)
29.8

$$$$
WAY-347384
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.4417   -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
    9.6042   -6.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -4.1250    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
    9.6125   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -7.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3625   -5.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792   -5.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -4.1042    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
    4.3792   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -5.0792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125  -10.1917    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  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  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  2  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 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 20  2  0  0  0  0
 18 12  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  4  2  0  0  0  0
 23  6  2  0  0  0  0
 24 10  2  0  0  0  0
 25 12  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
  4  6  1  0  0  0  0
 19 17  1  0  0  0  0
 27 26  2  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,252)
1252

>  <Formula> (1,252)
C22H15ClFN3OS

>  <MolWeight> (1,252)
423.8904032

>  <PCAT_CMPD_ID> (1,252)
WAY-347384

>  <CNC_ID> (1,252)
359435247

>  <transfer_container_id> (1,252)
PTN000000075

>  <COMPOUND_NUMBER> (1,252)
WAY-347384

>  <BAR_CODE_NO> (1,252)
2557537

>  <LOCATION_CODE> (1,252)
PTNCS

>  <AMOUNT_CURRENT> (1,252)
32.1

$$$$
WAY-347481
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.9750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -4.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -3.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542   -7.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -5.9042    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  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6 12  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  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  8  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 14  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  1  0  0  0  0
 24 21  2  0  0  0  0
 24 20  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,253)
1253

>  <Formula> (1,253)
C18H22N2O4

>  <MolWeight> (1,253)
330.37828

>  <PCAT_CMPD_ID> (1,253)
WAY-347481

>  <CNC_ID> (1,253)
359435341

>  <transfer_container_id> (1,253)
PTN000000075

>  <COMPOUND_NUMBER> (1,253)
WAY-347481

>  <BAR_CODE_NO> (1,253)
2557613

>  <LOCATION_CODE> (1,253)
PTNCS

>  <AMOUNT_CURRENT> (1,253)
32.8

$$$$
WAY-347623
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.9000   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -3.3417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6417   -2.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1292   -4.8875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6667   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -7.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0167   -5.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4792   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -6.4292    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
   15.8042   -4.3792    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  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 17  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  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  6  2  0  0  0  0
 15  6  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  5  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  1  0  0  0  0
  8 16  2  0  0  0  0
 12  9  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,254)
1254

>  <Formula> (1,254)
C18H26N2O

>  <MolWeight> (1,254)
286.41184

>  <PCAT_CMPD_ID> (1,254)
WAY-347623

>  <CNC_ID> (1,254)
359435477

>  <transfer_container_id> (1,254)
PTN000000075

>  <COMPOUND_NUMBER> (1,254)
WAY-347623

>  <BAR_CODE_NO> (1,254)
2557769

>  <LOCATION_CODE> (1,254)
PTNCS

>  <AMOUNT_CURRENT> (1,254)
32.6

$$$$
WAY-347640
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.2042   -6.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -5.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9542   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -7.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -4.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8875   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4625   -9.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167  -10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625  -12.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -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  3  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  8  1  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  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 17  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  2  0  0  0  0
 18  5  1  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
 22 14  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 24  1  0  0  0  0
  4  5  1  0  0  0  0
 15  9  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,255)
1255

>  <Formula> (1,255)
C20H26N2O4

>  <MolWeight> (1,255)
358.43144

>  <PCAT_CMPD_ID> (1,255)
WAY-347640

>  <CNC_ID> (1,255)
359435493

>  <transfer_container_id> (1,255)
PTN000000075

>  <COMPOUND_NUMBER> (1,255)
WAY-347640

>  <BAR_CODE_NO> (1,255)
2557847

>  <LOCATION_CODE> (1,255)
PTNCS

>  <AMOUNT_CURRENT> (1,255)
32.9

$$$$
WAY-347641
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.3792   -3.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -4.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -3.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -4.2667    0.0000 O   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
    7.1917   -4.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -1.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -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  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 10  2  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  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14  5  2  0  0  0  0
 15  5  2  0  0  0  0
 16  3  2  0  0  0  0
 17  8  2  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 21  5  1  0  0  0  0
 22 17  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
  6  4  1  0  0  0  0
 19  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,256)
1256

>  <Formula> (1,256)
C14H16ClN3O5S

>  <MolWeight> (1,256)
373.81194

>  <PCAT_CMPD_ID> (1,256)
WAY-347641

>  <CNC_ID> (1,256)
359435494

>  <transfer_container_id> (1,256)
PTN000000075

>  <COMPOUND_NUMBER> (1,256)
WAY-347641

>  <BAR_CODE_NO> (1,256)
2558960

>  <LOCATION_CODE> (1,256)
PTNCS

>  <AMOUNT_CURRENT> (1,256)
32.5

$$$$
WAY-347742
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.0167    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -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  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  2  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  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  6  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
  4  3  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,257)
1257

>  <Formula> (1,257)
C13H14ClNO3

>  <MolWeight> (1,257)
267.70816

>  <PCAT_CMPD_ID> (1,257)
WAY-347742

>  <CNC_ID> (1,257)
359435592

>  <transfer_container_id> (1,257)
PTN000000075

>  <COMPOUND_NUMBER> (1,257)
WAY-347742

>  <BAR_CODE_NO> (1,257)
2557926

>  <LOCATION_CODE> (1,257)
PTNCS

>  <AMOUNT_CURRENT> (1,257)
32.6

$$$$
WAY-347754
csChFnd80/11182011152D

 26 27  0  0  0  0  0  0  0  0999 V2000
   15.0125   -5.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -2.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -6.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -5.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792   -5.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9792   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -3.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375   -4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -3.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -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  3  1  0  0  0  0
  5 23  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 12  1  0  0  0  0
 10  6  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
 14  1  1  0  0  0  0
 15 22  1  0  0  0  0
 16  3  2  0  0  0  0
 17  4  1  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 24  1  0  0  0  0
 22 17  2  0  0  0  0
 23 11  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 15  1  0  0  0  0
 13 20  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,258)
1258

>  <Formula> (1,258)
C17H22N2O6S

>  <MolWeight> (1,258)
382.43138

>  <PCAT_CMPD_ID> (1,258)
WAY-347754

>  <CNC_ID> (1,258)
359435604

>  <transfer_container_id> (1,258)
PTN000000075

>  <COMPOUND_NUMBER> (1,258)
WAY-347754

>  <BAR_CODE_NO> (1,258)
2557938

>  <LOCATION_CODE> (1,258)
PTNCS

>  <AMOUNT_CURRENT> (1,258)
32.6

$$$$
WAY-347755
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.3042   -4.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -6.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792   -4.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -9.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292  -11.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -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  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  8  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  9  2  0  0  0  0
 15 12  2  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
 20 19  2  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
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
 21 23  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,259)
1259

>  <Formula> (1,259)
C17H20N4OS

>  <MolWeight> (1,259)
328.4319

>  <PCAT_CMPD_ID> (1,259)
WAY-347755

>  <CNC_ID> (1,259)
359435605

>  <transfer_container_id> (1,259)
PTN000000075

>  <COMPOUND_NUMBER> (1,259)
WAY-347755

>  <BAR_CODE_NO> (1,259)
2557939

>  <LOCATION_CODE> (1,259)
PTNCS

>  <AMOUNT_CURRENT> (1,259)
32.8

$$$$
WAY-347765
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.0655    0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    0.3584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -0.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5345   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2448   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -0.0726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5552   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.9933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.8584    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
 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
  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> (1,260)
1260

>  <Formula> (1,260)
C14H17N3O2S

>  <MolWeight> (1,260)
291.36868

>  <PCAT_CMPD_ID> (1,260)
WAY-347765

>  <CNC_ID> (1,260)
359435614

>  <transfer_container_id> (1,260)
PTN000000075

>  <COMPOUND_NUMBER> (1,260)
WAY-347765

>  <BAR_CODE_NO> (1,260)
2557957

>  <LOCATION_CODE> (1,260)
PTNCS

>  <AMOUNT_CURRENT> (1,260)
32.2

$$$$
WAY-347774
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.3875   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -8.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417  -10.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -9.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -8.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417  -10.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7042  -11.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -9.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -7.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -9.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875  -11.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417  -10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3625  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4292  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625  -11.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0000    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  1  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  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  2  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  2  2  0  0  0  0
 17  2  2  0  0  0  0
 18 13  1  0  0  0  0
 19  6  2  0  0  0  0
 20 10  2  0  0  0  0
 21 20  1  0  0  0  0
 22  2  1  0  0  0  0
 23 14  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
  9 10  1  0  0  0  0
 11 21  2  0  0  0  0
 14 18  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,261)
1261

>  <Formula> (1,261)
C17H14N2O5S2

>  <MolWeight> (1,261)
390.43346

>  <PCAT_CMPD_ID> (1,261)
WAY-347774

>  <CNC_ID> (1,261)
359435623

>  <transfer_container_id> (1,261)
PTN000000075

>  <COMPOUND_NUMBER> (1,261)
WAY-347774

>  <BAR_CODE_NO> (1,261)
2557966

>  <LOCATION_CODE> (1,261)
PTNCS

>  <AMOUNT_CURRENT> (1,261)
32.7

$$$$
WAY-347780
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.0667   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -4.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -1.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -3.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8750   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.8500    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  1  1  0  0  0  0
  6 10  2  0  0  0  0
  7  1  2  0  0  0  0
  8 17  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11  3  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  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19  5  1  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
  9  6  1  0  0  0  0
 22 24  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,262)
1262

>  <Formula> (1,262)
C19H22N2O2S

>  <MolWeight> (1,262)
342.45518

>  <PCAT_CMPD_ID> (1,262)
WAY-347780

>  <CNC_ID> (1,262)
359435629

>  <transfer_container_id> (1,262)
PTN000000075

>  <COMPOUND_NUMBER> (1,262)
WAY-347780

>  <BAR_CODE_NO> (1,262)
2558023

>  <LOCATION_CODE> (1,262)
PTNCS

>  <AMOUNT_CURRENT> (1,262)
32.6

$$$$
WAY-347805
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   12.1417   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042  -10.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -5.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -3.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -4.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -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  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  3  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  1  0  0  0  0
 18  9  2  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
  3  6  1  0  0  0  0
  9 11  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,263)
1263

>  <Formula> (1,263)
C16H17N3OS

>  <MolWeight> (1,263)
299.39068

>  <PCAT_CMPD_ID> (1,263)
WAY-347805

>  <CNC_ID> (1,263)
359435653

>  <transfer_container_id> (1,263)
PTN000000075

>  <COMPOUND_NUMBER> (1,263)
WAY-347805

>  <BAR_CODE_NO> (1,263)
2558010

>  <LOCATION_CODE> (1,263)
PTNCS

>  <AMOUNT_CURRENT> (1,263)
32.6

$$$$
WAY-347864
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.2167  -10.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -8.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -4.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -5.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167  -11.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -9.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667  -10.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5625   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   -3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625  -12.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042  -14.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -13.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542  -14.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042  -16.0000    0.0000 Cl  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
    1.3417   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  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 16  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  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 18  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  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
 26  8  2  0  0  0  0
 27 10  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 23 22  2  0  0  0  0
 17  6  1  0  0  0  0
  8 10  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,264)
1264

>  <Formula> (1,264)
C19H19ClN4O3S2

>  <MolWeight> (1,264)
450.96216

>  <PCAT_CMPD_ID> (1,264)
WAY-347864

>  <CNC_ID> (1,264)
359435709

>  <transfer_container_id> (1,264)
PTN000000075

>  <COMPOUND_NUMBER> (1,264)
WAY-347864

>  <BAR_CODE_NO> (1,264)
2557990

>  <LOCATION_CODE> (1,264)
PTNCS

>  <AMOUNT_CURRENT> (1,264)
32

$$$$
WAY-347885
csChFnd80/11182011152D

 27 28  0  0  0  0  0  0  0  0999 V2000
   15.0292   -6.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -7.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5667   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542   -7.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -3.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042   -5.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7625   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -5.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -6.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -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  8  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 23  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 19  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  7  1  0  0  0  0
 17  4  2  0  0  0  0
 18  7  2  0  0  0  0
 19 16  1  0  0  0  0
 20 12  2  0  0  0  0
 21 14  1  0  0  0  0
 22 15  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25  5  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
  3 11  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,265)
1265

>  <Formula> (1,265)
C18H24N2O6S

>  <MolWeight> (1,265)
396.45796

>  <PCAT_CMPD_ID> (1,265)
WAY-347885

>  <CNC_ID> (1,265)
359435729

>  <transfer_container_id> (1,265)
PTN000000075

>  <COMPOUND_NUMBER> (1,265)
WAY-347885

>  <BAR_CODE_NO> (1,265)
2558050

>  <LOCATION_CODE> (1,265)
PTNCS

>  <AMOUNT_CURRENT> (1,265)
32.6

$$$$
WAY-347902
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   14.9292   -7.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -5.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -5.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167   -8.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -4.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -6.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -6.9250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9250   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -4.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -2.6000    0.0000 C   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
    4.1375   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -2.3750    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  2  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  2  0  0  0  0
  9  1  2  0  0  0  0
 10 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  1  0  0  0  0
 18 10  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
 13 17  1  0  0  0  0
  3  4  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,266)
1266

>  <Formula> (1,266)
C14H15N3O4S2

>  <MolWeight> (1,266)
353.4166

>  <PCAT_CMPD_ID> (1,266)
WAY-347902

>  <CNC_ID> (1,266)
359435746

>  <transfer_container_id> (1,266)
PTN000000075

>  <COMPOUND_NUMBER> (1,266)
WAY-347902

>  <BAR_CODE_NO> (1,266)
2558067

>  <LOCATION_CODE> (1,266)
PTNCS

>  <AMOUNT_CURRENT> (1,266)
32.3

$$$$
WAY-347932
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.9750   -3.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4625   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8417   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -8.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -6.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -5.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.6292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0042   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417  -11.2042    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  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  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  7  1  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  3  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
  2  3  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,267)
1267

>  <Formula> (1,267)
C14H16ClNO3

>  <MolWeight> (1,267)
281.73474

>  <PCAT_CMPD_ID> (1,267)
WAY-347932

>  <CNC_ID> (1,267)
359435775

>  <transfer_container_id> (1,267)
PTN000000075

>  <COMPOUND_NUMBER> (1,267)
WAY-347932

>  <BAR_CODE_NO> (1,267)
2558161

>  <LOCATION_CODE> (1,267)
PTNCS

>  <AMOUNT_CURRENT> (1,267)
33

$$$$
WAY-347975
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.7792  -12.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292  -12.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292  -11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917  -13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125  -11.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917  -13.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875  -12.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9167  -12.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -9.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -7.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -6.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -11.6167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.4375  -13.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3917   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625  -11.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8542  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.3292    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 11  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 20  2  0  0  0  0
 10  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12 18  1  0  0  0  0
 13  4  1  0  0  0  0
 14 22  2  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
 18  6  1  0  0  0  0
 19  5  1  0  0  0  0
 20 23  1  0  0  0  0
 21  4  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 13  1  0  0  0  0
 25 23  2  0  0  0  0
 26  3  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 12 19  1  0  0  0  0
 27 11  2  0  0  0  0
 14  9  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,268)
1268

>  <Formula> (1,268)
C21H24N2O6S

>  <MolWeight> (1,268)
432.49006

>  <PCAT_CMPD_ID> (1,268)
WAY-347975

>  <CNC_ID> (1,268)
359435813

>  <transfer_container_id> (1,268)
PTN000000075

>  <COMPOUND_NUMBER> (1,268)
WAY-347975

>  <BAR_CODE_NO> (1,268)
2558196

>  <LOCATION_CODE> (1,268)
PTNCS

>  <AMOUNT_CURRENT> (1,268)
33

$$$$
WAY-347991
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.5292   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417   -7.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -7.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7042   -6.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -6.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3542   -5.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625   -7.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6417  -11.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9042   -9.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792  -12.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292  -10.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167  -11.9542    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  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  2  1  0  0  0  0
  9  6  1  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  9  2  0  0  0  0
 14 12  1  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 12  2  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 14  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
  5  8  2  0  0  0  0
  7  6  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,269)
1269

>  <Formula> (1,269)
C18H20ClN3OS

>  <MolWeight> (1,269)
361.8889

>  <PCAT_CMPD_ID> (1,269)
WAY-347991

>  <CNC_ID> (1,269)
359435828

>  <transfer_container_id> (1,269)
PTN000000075

>  <COMPOUND_NUMBER> (1,269)
WAY-347991

>  <BAR_CODE_NO> (1,269)
2558212

>  <LOCATION_CODE> (1,269)
PTNCS

>  <AMOUNT_CURRENT> (1,269)
32.1

$$$$
WAY-347992
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.4625  -14.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042  -14.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917  -12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -11.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -8.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542  -12.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -7.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542  -10.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667  -12.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917  -11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542  -15.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792  -13.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250  -15.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7667  -14.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500  -15.9917    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 14  2  0  0  0  0
  5  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  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 18  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  1  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 19  1  1  0  0  0  0
 20 13  1  0  0  0  0
 21  2  1  0  0  0  0
 22  3  1  0  0  0  0
 23 18  2  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
 10  5  2  0  0  0  0
  7  4  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,270)
1270

>  <Formula> (1,270)
C19H21NO6

>  <MolWeight> (1,270)
359.37314

>  <PCAT_CMPD_ID> (1,270)
WAY-347992

>  <CNC_ID> (1,270)
359435829

>  <transfer_container_id> (1,270)
PTN000000075

>  <COMPOUND_NUMBER> (1,270)
WAY-347992

>  <BAR_CODE_NO> (1,270)
2558213

>  <LOCATION_CODE> (1,270)
PTNCS

>  <AMOUNT_CURRENT> (1,270)
32.8

$$$$
WAY-347993
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   11.8417   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -8.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917   -8.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -5.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -5.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -7.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -4.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6417   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -6.3875    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
    6.7500   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.9167    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 11  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  9  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  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  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  5  1  0  0  0  0
 26  9  1  0  0  0  0
 27 20  1  0  0  0  0
  3  5  2  0  0  0  0
 19 20  2  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,271)
1271

>  <Formula> (1,271)
C21H21N3O2S

>  <MolWeight> (1,271)
379.47534

>  <PCAT_CMPD_ID> (1,271)
WAY-347993

>  <CNC_ID> (1,271)
359435830

>  <transfer_container_id> (1,271)
PTN000000075

>  <COMPOUND_NUMBER> (1,271)
WAY-347993

>  <BAR_CODE_NO> (1,271)
2558214

>  <LOCATION_CODE> (1,271)
PTNCS

>  <AMOUNT_CURRENT> (1,271)
32.7

$$$$
WAY-348041
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.6917   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -5.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -7.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -3.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9750   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542  -11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292  -11.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917  -12.3792    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  1  1  0  0  0  0
  8  6  2  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 10  1  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 15  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 16  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  2  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
  5  3  1  0  0  0  0
 14 22  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,272)
1272

>  <Formula> (1,272)
C21H23NO3

>  <MolWeight> (1,272)
337.41222

>  <PCAT_CMPD_ID> (1,272)
WAY-348041

>  <CNC_ID> (1,272)
359435873

>  <transfer_container_id> (1,272)
PTN000000075

>  <COMPOUND_NUMBER> (1,272)
WAY-348041

>  <BAR_CODE_NO> (1,272)
2558141

>  <LOCATION_CODE> (1,272)
PTNCS

>  <AMOUNT_CURRENT> (1,272)
32.2

$$$$
WAY-348042
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.8125  -10.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -9.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -8.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542  -10.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000  -11.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -11.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375  -10.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -11.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -9.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3625   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500  -11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417  -13.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917  -13.6042    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  2  0  0  0  0
 10  9  1  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  1  0  0  0  0
 16  8  2  0  0  0  0
 17  6  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21  6  1  0  0  0  0
 22 11  2  0  0  0  0
 23 12  2  0  0  0  0
 24 17  1  0  0  0  0
 25 17  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 24  2  0  0  0  0
 30 28  2  0  0  0  0
 18 10  2  0  0  0  0
 29 30  1  0  0  0  0
 11 12  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,273)
1273

>  <Formula> (1,273)
C21H17ClN4O3S

>  <MolWeight> (1,273)
440.90268

>  <PCAT_CMPD_ID> (1,273)
WAY-348042

>  <CNC_ID> (1,273)
359435874

>  <transfer_container_id> (1,273)
PTN000000075

>  <COMPOUND_NUMBER> (1,273)
WAY-348042

>  <BAR_CODE_NO> (1,273)
2558142

>  <LOCATION_CODE> (1,273)
PTNCS

>  <AMOUNT_CURRENT> (1,273)
32.8

$$$$
WAY-348053
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.9250  -12.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000  -11.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -12.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625  -11.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500  -10.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542  -12.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -8.0250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -9.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -7.5917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792  -13.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125  -11.8625    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 10  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  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 13 11  2  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18  3  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
  7  8  2  0  0  0  0
 10 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,274)
1274

>  <Formula> (1,274)
C13H10F3N3O2

>  <MolWeight> (1,274)
297.2326096

>  <PCAT_CMPD_ID> (1,274)
WAY-348053

>  <CNC_ID> (1,274)
359435885

>  <transfer_container_id> (1,274)
PTN000000075

>  <COMPOUND_NUMBER> (1,274)
WAY-348053

>  <BAR_CODE_NO> (1,274)
2558232

>  <LOCATION_CODE> (1,274)
PTNCS

>  <AMOUNT_CURRENT> (1,274)
32.4

$$$$
WAY-348076
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.6928   -0.1957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6928    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4273   -0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618   -1.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382   -0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4273    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    2.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037   -0.6957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382    0.8043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618    2.3043    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5618    2.3043    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618    3.3043    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7693   -0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6348   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5037   -0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6348   -1.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3693   -0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5037   -2.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3693   -1.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2348   -2.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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
  8 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
 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  9  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,275)
1275

>  <Formula> (1,275)
C16H15F3N2O2

>  <MolWeight> (1,275)
324.2977096

>  <PCAT_CMPD_ID> (1,275)
WAY-348076

>  <CNC_ID> (1,275)
359435908

>  <transfer_container_id> (1,275)
PTN000000075

>  <COMPOUND_NUMBER> (1,275)
WAY-348076

>  <BAR_CODE_NO> (1,275)
2558255

>  <LOCATION_CODE> (1,275)
PTNCS

>  <AMOUNT_CURRENT> (1,275)
32.6

$$$$
WAY-348106
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7416   -0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830    0.8797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692   -0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588   -1.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722    0.8797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278    2.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0450    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0209   -1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278   -3.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722   -1.7548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964    0.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722    2.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722   -0.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830    2.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -3.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343   -0.3582    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0170    2.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4964    0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4964    1.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5791   -0.9582    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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  8 15  2  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
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,276)
1276

>  <Formula> (1,276)
C13H12ClNO3S2

>  <MolWeight> (1,276)
329.82228

>  <PCAT_CMPD_ID> (1,276)
WAY-348106

>  <CNC_ID> (1,276)
359435936

>  <transfer_container_id> (1,276)
PTN000000075

>  <COMPOUND_NUMBER> (1,276)
WAY-348106

>  <BAR_CODE_NO> (1,276)
2558440

>  <LOCATION_CODE> (1,276)
PTNCS

>  <AMOUNT_CURRENT> (1,276)
32.1

$$$$
WAY-348110
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.2167   -6.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -7.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -6.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -6.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -7.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -5.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -7.3042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -5.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -4.9542    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  1  1  0  0  0  0
  5 14  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  8  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 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 15  5  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,277)
1277

>  <Formula> (1,277)
C11H15BrN2O4S2

>  <MolWeight> (1,277)
383.2818

>  <PCAT_CMPD_ID> (1,277)
WAY-348110

>  <CNC_ID> (1,277)
359435940

>  <transfer_container_id> (1,277)
PTN000000075

>  <COMPOUND_NUMBER> (1,277)
WAY-348110

>  <BAR_CODE_NO> (1,277)
2558444

>  <LOCATION_CODE> (1,277)
PTNCS

>  <AMOUNT_CURRENT> (1,277)
32.7

$$$$
WAY-348126
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   11.7417  -11.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792  -11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417  -10.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7500  -12.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -9.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667  -11.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -6.8792    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  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  8  1  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 12  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
 14 15  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,278)
1278

>  <Formula> (1,278)
C17H19NO3S

>  <MolWeight> (1,278)
317.40266

>  <PCAT_CMPD_ID> (1,278)
WAY-348126

>  <CNC_ID> (1,278)
359435956

>  <transfer_container_id> (1,278)
PTN000000075

>  <COMPOUND_NUMBER> (1,278)
WAY-348126

>  <BAR_CODE_NO> (1,278)
2558290

>  <LOCATION_CODE> (1,278)
PTNCS

>  <AMOUNT_CURRENT> (1,278)
32.3

$$$$
WAY-348139
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.8042   -4.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -3.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -4.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -4.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -5.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -3.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -5.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750   -7.4917    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 11  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  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11 19  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  4  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 22  2  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
 11 18  1  0  0  0  0
 25 26  2  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,279)
1279

>  <Formula> (1,279)
C18H17N3O3S2

>  <MolWeight> (1,279)
387.47588

>  <PCAT_CMPD_ID> (1,279)
WAY-348139

>  <CNC_ID> (1,279)
359435969

>  <transfer_container_id> (1,279)
PTN000000075

>  <COMPOUND_NUMBER> (1,279)
WAY-348139

>  <BAR_CODE_NO> (1,279)
2558347

>  <LOCATION_CODE> (1,279)
PTNCS

>  <AMOUNT_CURRENT> (1,279)
32.3

$$$$
WAY-348158
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.8917   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -4.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -4.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -4.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3042   -3.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -4.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -3.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.1167    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
   -0.9125   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -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  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 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14  3  2  0  0  0  0
 15  4  2  0  0  0  0
 16  4  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20  9  1  0  0  0  0
 21 13  2  0  0  0  0
 22  6  1  0  0  0  0
 23 20  1  0  0  0  0
 24  9  2  0  0  0  0
 25  7  1  0  0  0  0
 26 12  1  0  0  0  0
 27 20  2  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 24  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  2  0  0  0  0
  5  7  1  0  0  0  0
 27 32  1  0  0  0  0
 31 25  2  0  0  0  0
  4 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,280)
1280

>  <Formula> (1,280)
C22H23N3O5S2

>  <MolWeight> (1,280)
473.56512

>  <PCAT_CMPD_ID> (1,280)
WAY-348158

>  <CNC_ID> (1,280)
359435987

>  <transfer_container_id> (1,280)
PTN000000075

>  <COMPOUND_NUMBER> (1,280)
WAY-348158

>  <BAR_CODE_NO> (1,280)
2558370

>  <LOCATION_CODE> (1,280)
PTNCS

>  <AMOUNT_CURRENT> (1,280)
32.2

$$$$
WAY-348205
csChFnd80/11182011152D

 36 40  0  0  0  0  0  0  0  0999 V2000
    7.2542    4.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750    4.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    8.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792    8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   10.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375    8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875    7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   11.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625    7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667   11.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   11.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917    8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   13.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1917   11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   11.9667    0.0000 C   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
    7.9917    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   13.2417    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  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 10  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 14  2  0  0  0  0
 18  2  2  0  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21 19  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 12  1  0  0  0  0
 26 10  2  0  0  0  0
 27 13  2  0  0  0  0
 28 14  1  0  0  0  0
 29 17  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 26  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
  3  5  2  0  0  0  0
 27 35  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
 29 36  2  0  0  0  0
M  END
>  <Mol_ID> (1,281)
1281

>  <Formula> (1,281)
C28H28N4O4

>  <MolWeight> (1,281)
484.54632

>  <PCAT_CMPD_ID> (1,281)
WAY-348205

>  <CNC_ID> (1,281)
359436030

>  <transfer_container_id> (1,281)
PTN000000075

>  <COMPOUND_NUMBER> (1,281)
WAY-348205

>  <BAR_CODE_NO> (1,281)
2558805

>  <LOCATION_CODE> (1,281)
PTNCS

>  <AMOUNT_CURRENT> (1,281)
32.4

$$$$
WAY-348211
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   11.5917   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -8.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375  -10.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -9.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -10.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500  -10.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292   -9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7667   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8500  -11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  9  3  0  0  0  0
  9 14  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  7  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 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  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 21  2  0  0  0  0
 27 25  2  0  0  0  0
 28 23  1  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 28 24  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,282)
1282

>  <Formula> (1,282)
C22H15N5O

>  <MolWeight> (1,282)
365.3874

>  <PCAT_CMPD_ID> (1,282)
WAY-348211

>  <CNC_ID> (1,282)
359436036

>  <transfer_container_id> (1,282)
PTN000000075

>  <COMPOUND_NUMBER> (1,282)
WAY-348211

>  <BAR_CODE_NO> (1,282)
2558502

>  <LOCATION_CODE> (1,282)
PTNCS

>  <AMOUNT_CURRENT> (1,282)
32.4

$$$$
WAY-348255
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.9703   -0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953    0.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203    0.4492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203    1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953   -1.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0630   -1.9633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8203    1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9703   -3.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1297   -0.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047    0.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9203    0.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8797    0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2203   -1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8297    1.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    2.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    1.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7797   -2.0883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    2.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672    2.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1797   -2.1383    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  3  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  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 16 12  2  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
  3  5  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,283)
1283

>  <Formula> (1,283)
C17H20N2O3

>  <MolWeight> (1,283)
300.3523

>  <PCAT_CMPD_ID> (1,283)
WAY-348255

>  <CNC_ID> (1,283)
359436074

>  <transfer_container_id> (1,283)
PTN000000075

>  <COMPOUND_NUMBER> (1,283)
WAY-348255

>  <BAR_CODE_NO> (1,283)
2558498

>  <LOCATION_CODE> (1,283)
PTNCS

>  <AMOUNT_CURRENT> (1,283)
32.4

$$$$
WAY-348304
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.5917   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -6.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -8.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -9.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2375   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -6.1167    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
   10.7250   -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  1  1  0  0  0  0
  4  6  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  1  2  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  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  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 17  1  0  0  0  0
 21 15  1  0  0  0  0
 20 14  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,284)
1284

>  <Formula> (1,284)
C18H19FN2O

>  <MolWeight> (1,284)
298.3546632

>  <PCAT_CMPD_ID> (1,284)
WAY-348304

>  <CNC_ID> (1,284)
359436122

>  <transfer_container_id> (1,284)
PTN000000075

>  <COMPOUND_NUMBER> (1,284)
WAY-348304

>  <BAR_CODE_NO> (1,284)
2558562

>  <LOCATION_CODE> (1,284)
PTNCS

>  <AMOUNT_CURRENT> (1,284)
32.4

$$$$
WAY-348329
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.1125   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -9.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792  -10.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875   -9.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.6792  -11.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -9.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417  -13.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -2.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -6.3167    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  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 13  1  0  0  0  0
 17  8  2  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 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 22  1  0  0  0  0
 26 23  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
 21 19  2  0  0  0  0
 26 28  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,285)
1285

>  <Formula> (1,285)
C21H18N4O2S

>  <MolWeight> (1,285)
390.45822

>  <PCAT_CMPD_ID> (1,285)
WAY-348329

>  <CNC_ID> (1,285)
359436147

>  <transfer_container_id> (1,285)
PTN000000075

>  <COMPOUND_NUMBER> (1,285)
WAY-348329

>  <BAR_CODE_NO> (1,285)
2558596

>  <LOCATION_CODE> (1,285)
PTNCS

>  <AMOUNT_CURRENT> (1,285)
32.7

$$$$
WAY-348333
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   13.3917   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -7.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6042   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -3.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917  -10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -12.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -12.7792    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 16  1  0  0  0  0
 10  6  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  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 24  1  0  0  0  0
 17  2  1  0  0  0  0
 18 11  1  0  0  0  0
 19  4  1  0  0  0  0
 20 22  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 18  2  0  0  0  0
 26 18  1  0  0  0  0
 27 20  1  0  0  0  0
 28  8  1  0  0  0  0
 29 27  1  0  0  0  0
  3  4  1  0  0  0  0
 20 21  2  0  0  0  0
 23 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,286)
1286

>  <Formula> (1,286)
C23H24N2O3S

>  <MolWeight> (1,286)
408.51326

>  <PCAT_CMPD_ID> (1,286)
WAY-348333

>  <CNC_ID> (1,286)
359436151

>  <transfer_container_id> (1,286)
PTN000000075

>  <COMPOUND_NUMBER> (1,286)
WAY-348333

>  <BAR_CODE_NO> (1,286)
2558600

>  <LOCATION_CODE> (1,286)
PTNCS

>  <AMOUNT_CURRENT> (1,286)
32.4

$$$$
WAY-348343
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   11.8000  -12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500  -12.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250  -13.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542  -13.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -8.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250  -14.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292  -11.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125  -10.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000  -14.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375  -15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8417   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292  -10.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125  -15.5667    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  6  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 16  1  0  0  0  0
  9  4  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 18  2  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16 22  1  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  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 15  1  0  0  0  0
 25 14  1  0  0  0  0
  7  5  1  0  0  0  0
 24 25  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,287)
1287

>  <Formula> (1,287)
C20H22N2OS2

>  <MolWeight> (1,287)
370.53148

>  <PCAT_CMPD_ID> (1,287)
WAY-348343

>  <CNC_ID> (1,287)
359436161

>  <transfer_container_id> (1,287)
PTN000000075

>  <COMPOUND_NUMBER> (1,287)
WAY-348343

>  <BAR_CODE_NO> (1,287)
2558609

>  <LOCATION_CODE> (1,287)
PTNCS

>  <AMOUNT_CURRENT> (1,287)
32.9

$$$$
WAY-348361
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   14.2625    3.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042    4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -2.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -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 11  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 18  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17  1  1  0  0  0  0
 18 20  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  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
 12  3  1  0  0  0  0
 19 18  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,288)
1288

>  <Formula> (1,288)
C19H23N3O3S

>  <MolWeight> (1,288)
373.46922

>  <PCAT_CMPD_ID> (1,288)
WAY-348361

>  <CNC_ID> (1,288)
359436178

>  <transfer_container_id> (1,288)
PTN000000075

>  <COMPOUND_NUMBER> (1,288)
WAY-348361

>  <BAR_CODE_NO> (1,288)
2558391

>  <LOCATION_CODE> (1,288)
PTNCS

>  <AMOUNT_CURRENT> (1,288)
32.7

$$$$
WAY-348377
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.5500   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7542    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292   -1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417  -10.3875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -7.5500    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
   14.1292   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.2417    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  3  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  7  1  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 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  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
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
  4  5  1  0  0  0  0
 10 12  2  0  0  0  0
 16 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,289)
1289

>  <Formula> (1,289)
C15H14ClN5O2

>  <MolWeight> (1,289)
331.75696

>  <PCAT_CMPD_ID> (1,289)
WAY-348377

>  <CNC_ID> (1,289)
359436194

>  <transfer_container_id> (1,289)
PTN000000075

>  <COMPOUND_NUMBER> (1,289)
WAY-348377

>  <BAR_CODE_NO> (1,289)
2558406

>  <LOCATION_CODE> (1,289)
PTNCS

>  <AMOUNT_CURRENT> (1,289)
33

$$$$
WAY-348393
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.9125  -12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667  -12.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542  -13.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792  -13.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7625  -14.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -8.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292  -11.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792  -10.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9375  -14.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917  -15.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667  -15.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -8.8500    0.0000 C   0  0  0  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 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  1  0  0  0  0
 20 21  2  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
C18H18N2OS2

>  <MolWeight> (1,290)
342.47832

>  <PCAT_CMPD_ID> (1,290)
WAY-348393

>  <CNC_ID> (1,290)
359436210

>  <transfer_container_id> (1,290)
PTN000000075

>  <COMPOUND_NUMBER> (1,290)
WAY-348393

>  <BAR_CODE_NO> (1,290)
2558620

>  <LOCATION_CODE> (1,290)
PTNCS

>  <AMOUNT_CURRENT> (1,290)
27.5

$$$$
WAY-348416
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.9167   -4.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -6.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -9.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -6.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7375   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -5.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -5.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -2.7292    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  2  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  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16  1  1  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 10  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
  4  8  1  0  0  0  0
 24 23  2  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,291)
1291

>  <Formula> (1,291)
C18H20N4OS

>  <MolWeight> (1,291)
340.4426

>  <PCAT_CMPD_ID> (1,291)
WAY-348416

>  <CNC_ID> (1,291)
359436230

>  <transfer_container_id> (1,291)
PTN000000075

>  <COMPOUND_NUMBER> (1,291)
WAY-348416

>  <BAR_CODE_NO> (1,291)
2558581

>  <LOCATION_CODE> (1,291)
PTNCS

>  <AMOUNT_CURRENT> (1,291)
23.2

$$$$
WAY-348428
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3917   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -3.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -8.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -4.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125   -4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250  -10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250  -12.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -12.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -6.5792    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  4  1  0  0  0  0
 18  3  1  0  0  0  0
 19  9  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 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
  4  9  1  0  0  0  0
 10  5  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,292)
1292

>  <Formula> (1,292)
C19H21N3O3S

>  <MolWeight> (1,292)
371.45334

>  <PCAT_CMPD_ID> (1,292)
WAY-348428

>  <CNC_ID> (1,292)
359436242

>  <transfer_container_id> (1,292)
PTN000000075

>  <COMPOUND_NUMBER> (1,292)
WAY-348428

>  <BAR_CODE_NO> (1,292)
2558593

>  <LOCATION_CODE> (1,292)
PTNCS

>  <AMOUNT_CURRENT> (1,292)
32.8

$$$$
WAY-348569
csChFnd80/11182011152D

 27 28  0  0  0  0  0  0  0  0999 V2000
    4.5542   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -6.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -7.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -8.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -9.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -8.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -8.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2042   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875  -11.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625  -14.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -9.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667  -13.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417  -10.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417  -11.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167  -12.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167  -13.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292  -14.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917  -15.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -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  3  1  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  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12 14  1  0  0  0  0
 13  4  2  0  0  0  0
 14 19  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20  9  1  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 20  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
  7 10  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,293)
1293

>  <Formula> (1,293)
C20H28N4O2S

>  <MolWeight> (1,293)
388.52692

>  <PCAT_CMPD_ID> (1,293)
WAY-348569

>  <CNC_ID> (1,293)
359436380

>  <transfer_container_id> (1,293)
PTN000000075

>  <COMPOUND_NUMBER> (1,293)
WAY-348569

>  <BAR_CODE_NO> (1,293)
2558728

>  <LOCATION_CODE> (1,293)
PTNCS

>  <AMOUNT_CURRENT> (1,293)
32.3

$$$$
WAY-348584
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.7125   -5.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -7.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375  -10.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -7.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -6.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -3.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -6.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -3.7417    0.0000 F   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
   10.4542   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2375   -2.3042    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 16  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  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 15  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  2  0  0  0  0
 26 28  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 29  1  0  0  0  0
  8  4  1  0  0  0  0
 30 27  2  0  0  0  0
 26 17  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,294)
1294

>  <Formula> (1,294)
C22H20FN5OS

>  <MolWeight> (1,294)
421.4905032

>  <PCAT_CMPD_ID> (1,294)
WAY-348584

>  <CNC_ID> (1,294)
359436395

>  <transfer_container_id> (1,294)
PTN000000075

>  <COMPOUND_NUMBER> (1,294)
WAY-348584

>  <BAR_CODE_NO> (1,294)
2558745

>  <LOCATION_CODE> (1,294)
PTNCS

>  <AMOUNT_CURRENT> (1,294)
32.5

$$$$
WAY-348601
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.6292   -3.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -3.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -4.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -5.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -2.2417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -6.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.4167    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  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  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  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 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 14  2  0  0  0  0
 22 21  1  0  0  0  0
  3  7  1  0  0  0  0
 20 22  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,295)
1295

>  <Formula> (1,295)
C17H16FN3S

>  <MolWeight> (1,295)
313.3924432

>  <PCAT_CMPD_ID> (1,295)
WAY-348601

>  <CNC_ID> (1,295)
359436412

>  <transfer_container_id> (1,295)
PTN000000075

>  <COMPOUND_NUMBER> (1,295)
WAY-348601

>  <BAR_CODE_NO> (1,295)
2559164

>  <LOCATION_CODE> (1,295)
PTNCS

>  <AMOUNT_CURRENT> (1,295)
33

$$$$
WAY-348625
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.0417  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -9.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042   -9.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -9.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750  -12.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -5.5542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042  -13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292  -14.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542  -14.3625    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  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 19  2  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  6  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
  4  3  1  0  0  0  0
 17 23  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,296)
1296

>  <Formula> (1,296)
C17H14FN3O2

>  <MolWeight> (1,296)
311.3103632

>  <PCAT_CMPD_ID> (1,296)
WAY-348625

>  <CNC_ID> (1,296)
359436436

>  <transfer_container_id> (1,296)
PTN000000075

>  <COMPOUND_NUMBER> (1,296)
WAY-348625

>  <BAR_CODE_NO> (1,296)
2558830

>  <LOCATION_CODE> (1,296)
PTNCS

>  <AMOUNT_CURRENT> (1,296)
32.6

$$$$
WAY-348700
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.4417   -0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -3.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -2.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -2.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -8.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1292    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  3  2  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  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  3  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 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  5  4  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,297)
1297

>  <Formula> (1,297)
C12H13N3O2S2

>  <MolWeight> (1,297)
295.38052

>  <PCAT_CMPD_ID> (1,297)
WAY-348700

>  <CNC_ID> (1,297)
359436511

>  <transfer_container_id> (1,297)
PTN000000075

>  <COMPOUND_NUMBER> (1,297)
WAY-348700

>  <BAR_CODE_NO> (1,297)
2558940

>  <LOCATION_CODE> (1,297)
PTNCS

>  <AMOUNT_CURRENT> (1,297)
32.4

$$$$
WAY-348735
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   13.5542   -6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -2.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -5.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -3.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -9.7250    0.0000 C   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
   13.5667   -3.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417  -12.3292    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  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  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  1  0  0  0  0
 15  6  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
 14 11  1  0  0  0  0
 19 17  2  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,298)
1298

>  <Formula> (1,298)
C13H13N3OS2

>  <MolWeight> (1,298)
291.39182

>  <PCAT_CMPD_ID> (1,298)
WAY-348735

>  <CNC_ID> (1,298)
359436546

>  <transfer_container_id> (1,298)
PTN000000075

>  <COMPOUND_NUMBER> (1,298)
WAY-348735

>  <BAR_CODE_NO> (1,298)
2558976

>  <LOCATION_CODE> (1,298)
PTNCS

>  <AMOUNT_CURRENT> (1,298)
29.2

$$$$
WAY-348814
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.8792   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -5.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -6.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6000   -5.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -2.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -9.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7125   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8417  -10.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2792   -7.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -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  5  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  2  0  0  0  0
  9  3  2  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  7  1  0  0  0  0
 14 16  2  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
 18 21  2  0  0  0  0
 19  5  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 11 12  2  0  0  0  0
 20 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,299)
1299

>  <Formula> (1,299)
C15H14ClNO4

>  <MolWeight> (1,299)
307.72896

>  <PCAT_CMPD_ID> (1,299)
WAY-348814

>  <CNC_ID> (1,299)
359436623

>  <transfer_container_id> (1,299)
PTN000000075

>  <COMPOUND_NUMBER> (1,299)
WAY-348814

>  <BAR_CODE_NO> (1,299)
2559464

>  <LOCATION_CODE> (1,299)
PTNCS

>  <AMOUNT_CURRENT> (1,299)
32.4

$$$$
WAY-348816
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.3917   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -3.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -3.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -3.2042    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
    7.8792   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542  -10.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375  -10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917  -10.8875    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  5  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  3  1  0  0  0  0
  9 14  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14 19  2  0  0  0  0
 15  2  1  0  0  0  0
 16 11  1  0  0  0  0
 17  4  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  7  1  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
 27 25  1  0  0  0  0
  4  3  1  0  0  0  0
 14 18  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,300)
1300

>  <Formula> (1,300)
C22H22N2O2S

>  <MolWeight> (1,300)
378.48728

>  <PCAT_CMPD_ID> (1,300)
WAY-348816

>  <CNC_ID> (1,300)
359436625

>  <transfer_container_id> (1,300)
PTN000000075

>  <COMPOUND_NUMBER> (1,300)
WAY-348816

>  <BAR_CODE_NO> (1,300)
2559466

>  <LOCATION_CODE> (1,300)
PTNCS

>  <AMOUNT_CURRENT> (1,300)
33

$$$$
WAY-348856
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.3375   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -7.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -4.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -6.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -5.3000    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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  2  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 22  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
  5  4  1  0  0  0  0
 24 23  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,301)
1301

>  <Formula> (1,301)
C19H21N3OS

>  <MolWeight> (1,301)
339.45454

>  <PCAT_CMPD_ID> (1,301)
WAY-348856

>  <CNC_ID> (1,301)
359436664

>  <transfer_container_id> (1,301)
PTN000000075

>  <COMPOUND_NUMBER> (1,301)
WAY-348856

>  <BAR_CODE_NO> (1,301)
2559056

>  <LOCATION_CODE> (1,301)
PTNCS

>  <AMOUNT_CURRENT> (1,301)
32.5

$$$$
WAY-348858
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.1917   -4.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -6.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -4.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -10.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -9.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -5.2500    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
  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 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13  7  2  0  0  0  0
 14 17  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  4  2  0  0  0  0
 21  5  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 24  2  0  0  0  0
  3  5  1  0  0  0  0
 25 21  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C18H18N2O5

>  <MolWeight> (1,302)
342.34592

>  <PCAT_CMPD_ID> (1,302)
WAY-348858

>  <CNC_ID> (1,302)
359436666

>  <transfer_container_id> (1,302)
PTN000000075

>  <COMPOUND_NUMBER> (1,302)
WAY-348858

>  <BAR_CODE_NO> (1,302)
2559058

>  <LOCATION_CODE> (1,302)
PTNCS

>  <AMOUNT_CURRENT> (1,302)
32.1

$$$$
WAY-348939
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.6042   -8.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -4.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -8.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167  -10.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -6.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -8.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -7.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -5.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -9.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.1083    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  3  1  0  0  0  0
  6 13  1  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  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 20  1  0  0  0  0
 15  6  2  0  0  0  0
 16 12  2  0  0  0  0
 17  7  1  0  0  0  0
 18  7  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  4  2  0  0  0  0
 24  8  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 22 20  1  0  0  0  0
  9  5  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,303)
1303

>  <Formula> (1,303)
C18H18N4O5S

>  <MolWeight> (1,303)
402.42432

>  <PCAT_CMPD_ID> (1,303)
WAY-348939

>  <CNC_ID> (1,303)
359436744

>  <transfer_container_id> (1,303)
PTN000000075

>  <COMPOUND_NUMBER> (1,303)
WAY-348939

>  <BAR_CODE_NO> (1,303)
2559107

>  <LOCATION_CODE> (1,303)
PTNCS

>  <AMOUNT_CURRENT> (1,303)
32.6

$$$$
WAY-348943
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.2167   -4.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -6.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -8.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -6.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -9.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -6.5792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4042   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -0.5417    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  3  0  0  0  0
  8 25  1  0  0  0  0
  9 27  1  0  0  0  0
 10  8  1  0  0  0  0
 11 16  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  2  1  0  0  0  0
 16 19  2  0  0  0  0
 17  6  1  0  0  0  0
 18 26  1  0  0  0  0
 19 17  1  0  0  0  0
 20  5  1  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  6  2  0  0  0  0
 25 30  2  0  0  0  0
 26 21  2  0  0  0  0
 27 15  1  0  0  0  0
 28 14  1  0  0  0  0
 29 11  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 23  1  0  0  0  0
  9 28  1  0  0  0  0
  5 18  2  0  0  0  0
 31 32  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,304)
1304

>  <Formula> (1,304)
C21H21ClN4O5S

>  <MolWeight> (1,304)
476.93324

>  <PCAT_CMPD_ID> (1,304)
WAY-348943

>  <CNC_ID> (1,304)
359436747

>  <transfer_container_id> (1,304)
PTN000000075

>  <COMPOUND_NUMBER> (1,304)
WAY-348943

>  <BAR_CODE_NO> (1,304)
2559110

>  <LOCATION_CODE> (1,304)
PTNCS

>  <AMOUNT_CURRENT> (1,304)
32.5

$$$$
WAY-349015
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   12.8375  -10.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -9.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -8.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667  -11.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917  -10.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417  -10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250  -11.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2417  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417  -10.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542  -12.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417  -10.9625    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
   14.4292  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875  -13.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042  -12.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875  -13.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667  -14.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167  -14.6125    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 13  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  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16  5  1  0  0  0  0
 17 19  1  0  0  0  0
 18 17  2  0  0  0  0
 19  5  1  0  0  0  0
 20  8  2  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23  9  2  0  0  0  0
 24 10  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 24  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
 13 21  1  0  0  0  0
 30 31  2  0  0  0  0
 10  9  1  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1305

>  <Formula> (1,305)
C23H20N4O3S

>  <MolWeight> (1,305)
432.4949

>  <PCAT_CMPD_ID> (1,305)
WAY-349015

>  <CNC_ID> (1,305)
359436815

>  <transfer_container_id> (1,305)
PTN000000075

>  <COMPOUND_NUMBER> (1,305)
WAY-349015

>  <BAR_CODE_NO> (1,305)
2559275

>  <LOCATION_CODE> (1,305)
PTNCS

>  <AMOUNT_CURRENT> (1,305)
32.4

$$$$
WAY-349100
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.1292  -10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -11.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250   -9.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -9.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167  -12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -8.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5792   -8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542  -11.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042  -13.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792  -12.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -7.7167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5750  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9000   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -9.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -8.7500    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  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13 15  1  0  0  0  0
 14  8  2  0  0  0  0
 15 18  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
 19  5  1  0  0  0  0
 20 13  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  1  0  0  0  0
  3  5  2  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1306

>  <Formula> (1,306)
C16H17ClN2O3

>  <MolWeight> (1,306)
320.77078

>  <PCAT_CMPD_ID> (1,306)
WAY-349100

>  <CNC_ID> (1,306)
359436895

>  <transfer_container_id> (1,306)
PTN000000075

>  <COMPOUND_NUMBER> (1,306)
WAY-349100

>  <BAR_CODE_NO> (1,306)
2559248

>  <LOCATION_CODE> (1,306)
PTNCS

>  <AMOUNT_CURRENT> (1,306)
32.3

$$$$
WAY-349205
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.2060    6.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030    4.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2991    4.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0040    6.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3050    7.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030    7.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8852    2.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1961    3.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2872    2.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941    3.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8060    6.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030    7.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120    8.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1882    1.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9803    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030    7.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040    8.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921    1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8773    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    9.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010    9.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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  8  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  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  2  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  1  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 17  1  0  0  0  0
 22 21  1  0  0  0  0
  3  4  1  0  0  0  0
 10  9  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,307)
1307

>  <Formula> (1,307)
C19H25NO2

>  <MolWeight> (1,307)
299.4073

>  <PCAT_CMPD_ID> (1,307)
WAY-349205

>  <CNC_ID> (1,307)
359436998

>  <transfer_container_id> (1,307)
PTN000000075

>  <COMPOUND_NUMBER> (1,307)
WAY-349205

>  <BAR_CODE_NO> (1,307)
2559439

>  <LOCATION_CODE> (1,307)
PTNCS

>  <AMOUNT_CURRENT> (1,307)
33

$$$$
WAY-349260
csChFnd80/11182011152D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.4272    2.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    3.1926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285    1.0985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    0.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766    0.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0677    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3571    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766    2.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4396    0.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3571    3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3702   -1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1702   -0.7035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1919   -3.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7491   -1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7903   -1.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3508    0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3927   -3.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888   -3.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9499   -1.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090   -0.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515    1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7716   -3.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2502   -5.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  3 23  1  0  0  0  0
  4  1  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  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
  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 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 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  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
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,308)
1308

>  <Formula> (1,308)
C23H32N2O

>  <MolWeight> (1,308)
352.51298

>  <PCAT_CMPD_ID> (1,308)
WAY-349260

>  <CNC_ID> (1,308)
359437053

>  <transfer_container_id> (1,308)
PTN000000075

>  <COMPOUND_NUMBER> (1,308)
WAY-349260

>  <BAR_CODE_NO> (1,308)
2559503

>  <LOCATION_CODE> (1,308)
PTNCS

>  <AMOUNT_CURRENT> (1,308)
32.3

$$$$
WAY-349312
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.5989    4.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7631    3.4934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952    2.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7631    5.7824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1895    2.0725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4858    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0980    3.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2253    0.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    3.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    5.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9971    4.6369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6980    3.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952    4.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7586    0.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3379    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7 13  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  8  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  6  1  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,309)
1309

>  <Formula> (1,309)
C13H9ClN2OS2

>  <MolWeight> (1,309)
308.80636

>  <PCAT_CMPD_ID> (1,309)
WAY-349312

>  <CNC_ID> (1,309)
359437099

>  <transfer_container_id> (1,309)
PTN000000075

>  <COMPOUND_NUMBER> (1,309)
WAY-349312

>  <BAR_CODE_NO> (1,309)
2559544

>  <LOCATION_CODE> (1,309)
PTNCS

>  <AMOUNT_CURRENT> (1,309)
32.6

$$$$
WAY-349517
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.4000   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -8.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -5.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -4.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4125   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -3.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4000    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 13  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  2  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  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17 12  2  0  0  0  0
 18  3  1  0  0  0  0
 19  2  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22  7  1  0  0  0  0
  7  3  1  0  0  0  0
 10  9  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,310)
1310

>  <Formula> (1,310)
C16H16ClN3OS

>  <MolWeight> (1,310)
333.83574

>  <PCAT_CMPD_ID> (1,310)
WAY-349517

>  <CNC_ID> (1,310)
359437299

>  <transfer_container_id> (1,310)
PTN000000075

>  <COMPOUND_NUMBER> (1,310)
WAY-349517

>  <BAR_CODE_NO> (1,310)
2559749

>  <LOCATION_CODE> (1,310)
PTNCS

>  <AMOUNT_CURRENT> (1,310)
32.5

$$$$
WAY-349535
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.5042   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -3.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -5.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250  -10.2875    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  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  1  0  0  0  0
 11 10  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 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  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 16  2  0  0  0  0
 24 15  1  0  0  0  0
 25 23  1  0  0  0  0
  5  6  1  0  0  0  0
 19 20  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,311)
1311

>  <Formula> (1,311)
C21H23NO3

>  <MolWeight> (1,311)
337.41222

>  <PCAT_CMPD_ID> (1,311)
WAY-349535

>  <CNC_ID> (1,311)
359437317

>  <transfer_container_id> (1,311)
PTN000000075

>  <COMPOUND_NUMBER> (1,311)
WAY-349535

>  <BAR_CODE_NO> (1,311)
2559767

>  <LOCATION_CODE> (1,311)
PTNCS

>  <AMOUNT_CURRENT> (1,311)
32.5

$$$$
WAY-349605
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.0375   -4.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -6.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -6.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -7.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292   -6.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -5.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -5.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   -9.6875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -3.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -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  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  1  1  0  0  0  0
  7 12  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  2  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  2  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 13  1  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 14  1  0  0  0  0
 22  6  2  0  0  0  0
 23 14  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
  5  3  1  0  0  0  0
 26 23  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,312)
1312

>  <Formula> (1,312)
C16H13Cl2N5O2S

>  <MolWeight> (1,312)
410.27772

>  <PCAT_CMPD_ID> (1,312)
WAY-349605

>  <CNC_ID> (1,312)
359437385

>  <transfer_container_id> (1,312)
PTN000000075

>  <COMPOUND_NUMBER> (1,312)
WAY-349605

>  <BAR_CODE_NO> (1,312)
2559861

>  <LOCATION_CODE> (1,312)
PTNCS

>  <AMOUNT_CURRENT> (1,312)
32.2

$$$$
WAY-349768
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.2667  -11.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917  -11.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917  -10.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667  -11.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792  -10.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750  -12.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000  -13.2542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9292  -13.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9667   -9.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -8.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917  -14.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -14.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7250  -15.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750  -15.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875  -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  6  2  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  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  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 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16  9  1  0  0  0  0
 17  6  1  0  0  0  0
 18 15  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 16  2  0  0  0  0
 23 19  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
  2  4  1  0  0  0  0
 14 18  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,313)
1313

>  <Formula> (1,313)
C20H20ClN3O2

>  <MolWeight> (1,313)
369.8447

>  <PCAT_CMPD_ID> (1,313)
WAY-349768

>  <CNC_ID> (1,313)
359437541

>  <transfer_container_id> (1,313)
PTN000000075

>  <COMPOUND_NUMBER> (1,313)
WAY-349768

>  <BAR_CODE_NO> (1,313)
2560016

>  <LOCATION_CODE> (1,313)
PTNCS

>  <AMOUNT_CURRENT> (1,313)
29.6

$$$$
WAY-349796
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.0917   -3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6438   -6.1082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -6.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -6.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2417   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -7.2542    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
    1.7250    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  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  3  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11 17  1  0  0  0  0
 12  1  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 13  1  0  0  0  0
 17 22  2  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  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
  5  3  2  0  0  0  0
  9  8  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,314)
1314

>  <Formula> (1,314)
C20H20N2O4

>  <MolWeight> (1,314)
352.3838

>  <PCAT_CMPD_ID> (1,314)
WAY-349796

>  <CNC_ID> (1,314)
359437563

>  <transfer_container_id> (1,314)
PTN000000075

>  <COMPOUND_NUMBER> (1,314)
WAY-349796

>  <BAR_CODE_NO> (1,314)
2560076

>  <LOCATION_CODE> (1,314)
PTNCS

>  <AMOUNT_CURRENT> (1,314)
29.9

$$$$
WAY-349797
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.5500   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5750   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542   -4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625   -5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.2042    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
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5 15  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 24  1  0  0  0  0
 18 23  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21  8  1  0  0  0  0
 22  7  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  2  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 25  1  0  0  0  0
  5  3  2  0  0  0  0
  8  7  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,315)
1315

>  <Formula> (1,315)
C22H25NO5

>  <MolWeight> (1,315)
383.4376

>  <PCAT_CMPD_ID> (1,315)
WAY-349797

>  <CNC_ID> (1,315)
359437564

>  <transfer_container_id> (1,315)
PTN000000075

>  <COMPOUND_NUMBER> (1,315)
WAY-349797

>  <BAR_CODE_NO> (1,315)
2560077

>  <LOCATION_CODE> (1,315)
PTNCS

>  <AMOUNT_CURRENT> (1,315)
32.3

$$$$
WAY-350198
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.3167   -6.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -4.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5125   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -9.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -3.2667    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  2  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  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  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  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  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
 13  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,316)
1316

>  <Formula> (1,316)
C18H19NO2

>  <MolWeight> (1,316)
281.34896

>  <PCAT_CMPD_ID> (1,316)
WAY-350198

>  <CNC_ID> (1,316)
359437949

>  <transfer_container_id> (1,316)
PTN000000075

>  <COMPOUND_NUMBER> (1,316)
WAY-350198

>  <BAR_CODE_NO> (1,316)
2560463

>  <LOCATION_CODE> (1,316)
PTNCS

>  <AMOUNT_CURRENT> (1,316)
29.2

$$$$
WAY-350206
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.7792   -9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -9.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917  -11.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000  -11.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667  -14.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375  -13.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417  -11.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667  -10.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -7.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250  -14.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917  -11.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750  -10.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500  -13.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -15.9917    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  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  2  0  0  0  0
  9  7  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 20  2  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  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  2  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22 13  1  0  0  0  0
  4  5  2  0  0  0  0
 18 15  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,317)
1317

>  <Formula> (1,317)
C14H8F2N2O3S

>  <MolWeight> (1,317)
322.2867264

>  <PCAT_CMPD_ID> (1,317)
WAY-350206

>  <CNC_ID> (1,317)
359437957

>  <transfer_container_id> (1,317)
PTN000000075

>  <COMPOUND_NUMBER> (1,317)
WAY-350206

>  <BAR_CODE_NO> (1,317)
2560471

>  <LOCATION_CODE> (1,317)
PTNCS

>  <AMOUNT_CURRENT> (1,317)
32.6

$$$$
WAY-349960
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   12.8917   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -5.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -4.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -5.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375   -3.4292    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
   14.0500   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -3.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -4.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6292   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -7.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792   -8.9042    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  5  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 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  3  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 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
  9  4  2  0  0  0  0
  7  6  2  0  0  0  0
 24 23  2  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,318)
1318

>  <Formula> (1,318)
C17H14N4OS2

>  <MolWeight> (1,318)
354.44926

>  <PCAT_CMPD_ID> (1,318)
WAY-349960

>  <CNC_ID> (1,318)
359437722

>  <transfer_container_id> (1,318)
PTN000000075

>  <COMPOUND_NUMBER> (1,318)
WAY-349960

>  <BAR_CODE_NO> (1,318)
2560227

>  <LOCATION_CODE> (1,318)
PTNCS

>  <AMOUNT_CURRENT> (1,318)
29.6

$$$$
WAY-349999
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   11.3792   -4.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -6.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9792   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5542   -4.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9667   -9.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792  -10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417  -12.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125  -13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -4.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5375  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625  -13.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750  -15.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250  -15.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375  -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  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  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14 17  1  0  0  0  0
 15 21  2  0  0  0  0
 16  9  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 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 18  1  0  0  0  0
 25 19  1  0  0  0  0
  5  6  1  0  0  0  0
 11  7  1  0  0  0  0
 20 15  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,319)
1319

>  <Formula> (1,319)
C17H15N5O2S

>  <MolWeight> (1,319)
353.3983

>  <PCAT_CMPD_ID> (1,319)
WAY-349999

>  <CNC_ID> (1,319)
359437758

>  <transfer_container_id> (1,319)
PTN000000075

>  <COMPOUND_NUMBER> (1,319)
WAY-349999

>  <BAR_CODE_NO> (1,319)
2560428

>  <LOCATION_CODE> (1,319)
PTNCS

>  <AMOUNT_CURRENT> (1,319)
9.72

$$$$
WAY-350026
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.1917   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -4.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -3.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1750   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -3.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -4.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -5.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -2.4167    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  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  6  2  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  8  2  0  0  0  0
 21  8  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  4  1  0  0  0  0
 26  7  1  0  0  0  0
 27  9  1  0  0  0  0
 28  9  1  0  0  0  0
 23 22  2  0  0  0  0
 11 17  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,320)
1320

>  <Formula> (1,320)
C20H22N4O3S

>  <MolWeight> (1,320)
398.47868

>  <PCAT_CMPD_ID> (1,320)
WAY-350026

>  <CNC_ID> (1,320)
359437785

>  <transfer_container_id> (1,320)
PTN000000075

>  <COMPOUND_NUMBER> (1,320)
WAY-350026

>  <BAR_CODE_NO> (1,320)
2560290

>  <LOCATION_CODE> (1,320)
PTNCS

>  <AMOUNT_CURRENT> (1,320)
32.9

$$$$
WAY-350127
csChFnd80/11182011152D

 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
    6.7667   -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
    8.4292   -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
    9.5125   -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
   14.9167   -6.5917    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
   16.0000   -6.5917    0.0000 Cl  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
   13.2917   -7.5250    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
   11.6750   -6.5917    0.0000 O   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
    4.0125   -3.4667    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
    4.9042   -4.0667    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
  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 19  2  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 10  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20  6  1  0  0  0  0
 21  6  2  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
  3  5  1  0  0  0  0
  8 18  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
C16H15ClN4OS

>  <MolWeight> (1,321)
346.8345

>  <PCAT_CMPD_ID> (1,321)
WAY-350127

>  <CNC_ID> (1,321)
359437878

>  <transfer_container_id> (1,321)
PTN000000075

>  <COMPOUND_NUMBER> (1,321)
WAY-350127

>  <BAR_CODE_NO> (1,321)
2560356

>  <LOCATION_CODE> (1,321)
PTNCS

>  <AMOUNT_CURRENT> (1,321)
30.2

$$$$
WAY-350219
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
   12.6167   -6.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -6.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -4.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -4.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -3.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2375   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -7.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292   -7.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -5.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -3.0375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -4.0875    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
   14.8250   -9.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917   -8.9042    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  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 15  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  4  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  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18  9  2  0  0  0  0
 19  7  2  0  0  0  0
 20 12  1  0  0  0  0
 21 11  2  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
 25  8  1  0  0  0  0
 26  9  1  0  0  0  0
 27 28  1  0  0  0  0
 28 25  2  0  0  0  0
 29 18  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
 18 20  1  0  0  0  0
 27 15  2  0  0  0  0
 31 29  2  0  0  0  0
 10 11  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,322)
1322

>  <Formula> (1,322)
C22H16FN3O3S2

>  <MolWeight> (1,322)
453.5091432

>  <PCAT_CMPD_ID> (1,322)
WAY-350219

>  <CNC_ID> (1,322)
359437970

>  <transfer_container_id> (1,322)
PTN000000075

>  <COMPOUND_NUMBER> (1,322)
WAY-350219

>  <BAR_CODE_NO> (1,322)
2560535

>  <LOCATION_CODE> (1,322)
PTNCS

>  <AMOUNT_CURRENT> (1,322)
32.5

$$$$
WAY-350226
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9250   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5750   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -4.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -5.7250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6042   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.9625    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 15  1  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 13  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  2  0  0  0  0
 17 21  2  0  0  0  0
 18 13  1  0  0  0  0
 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23  5  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 26 24  1  0  0  0  0
  3  5  1  0  0  0  0
  7  9  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,323)
1323

>  <Formula> (1,323)
C18H20Cl2N4OS

>  <MolWeight> (1,323)
411.3486

>  <PCAT_CMPD_ID> (1,323)
WAY-350226

>  <CNC_ID> (1,323)
359437975

>  <transfer_container_id> (1,323)
PTN000000075

>  <COMPOUND_NUMBER> (1,323)
WAY-350226

>  <BAR_CODE_NO> (1,323)
2560541

>  <LOCATION_CODE> (1,323)
PTNCS

>  <AMOUNT_CURRENT> (1,323)
32.2

$$$$
WAY-350349
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.4792  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042  -10.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -9.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8750  -11.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167  -11.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292  -11.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875  -10.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -9.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -12.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167  -13.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417  -13.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -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  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7 11  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  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14  5  2  0  0  0  0
 15 12  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,324)
1324

>  <Formula> (1,324)
C13H13N3OS

>  <MolWeight> (1,324)
259.32682

>  <PCAT_CMPD_ID> (1,324)
WAY-350349

>  <CNC_ID> (1,324)
359438092

>  <transfer_container_id> (1,324)
PTN000000075

>  <COMPOUND_NUMBER> (1,324)
WAY-350349

>  <BAR_CODE_NO> (1,324)
2560870

>  <LOCATION_CODE> (1,324)
PTNCS

>  <AMOUNT_CURRENT> (1,324)
32.8

$$$$
WAY-350368
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.3000  -12.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583  -13.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417  -14.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083  -14.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458  -11.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542  -15.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -6.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375  -11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3417   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -7.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2542   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3417    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2542    2.2708    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  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9 18  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  2  0  0  0  0
 14  1  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 22  1  0  0  0  0
 18  7  1  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
 22 14  1  0  0  0  0
 23 21  1  0  0  0  0
  4  6  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,325)
1325

>  <Formula> (1,325)
C15H16N2O5S

>  <MolWeight> (1,325)
336.36294

>  <PCAT_CMPD_ID> (1,325)
WAY-350368

>  <CNC_ID> (1,325)
359438110

>  <transfer_container_id> (1,325)
PTN000000075

>  <COMPOUND_NUMBER> (1,325)
WAY-350368

>  <BAR_CODE_NO> (1,325)
2560611

>  <LOCATION_CODE> (1,325)
PTNCS

>  <AMOUNT_CURRENT> (1,325)
32.3

$$$$
WAY-350434
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   10.4667   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -3.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -3.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -4.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5792   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -9.7042    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 11  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  1  1  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  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18  4  1  0  0  0  0
 19 16  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 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
  5  4  1  0  0  0  0
 22 26  1  0  0  0  0
 12 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,326)
1326

>  <Formula> (1,326)
C19H16N4O2S

>  <MolWeight> (1,326)
364.42094

>  <PCAT_CMPD_ID> (1,326)
WAY-350434

>  <CNC_ID> (1,326)
359438175

>  <transfer_container_id> (1,326)
PTN000000075

>  <COMPOUND_NUMBER> (1,326)
WAY-350434

>  <BAR_CODE_NO> (1,326)
2560687

>  <LOCATION_CODE> (1,326)
PTNCS

>  <AMOUNT_CURRENT> (1,326)
32.8

$$$$
WAY-350456
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1542   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -4.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -3.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -5.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.1917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.5917   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 12  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20  4  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
  6  4  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,327)
1327

>  <Formula> (1,327)
C17H20ClN3OS

>  <MolWeight> (1,327)
349.8782

>  <PCAT_CMPD_ID> (1,327)
WAY-350456

>  <CNC_ID> (1,327)
359438197

>  <transfer_container_id> (1,327)
PTN000000075

>  <COMPOUND_NUMBER> (1,327)
WAY-350456

>  <BAR_CODE_NO> (1,327)
2560709

>  <LOCATION_CODE> (1,327)
PTNCS

>  <AMOUNT_CURRENT> (1,327)
32.4

$$$$
WAY-350457
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.9292   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -5.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -8.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1167   -6.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -4.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -9.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7417    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    0.5500    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  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  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13 15  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  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 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  2  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
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
  7  9  1  0  0  0  0
 19 21  1  0  0  0  0
  4  6  2  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,328)
1328

>  <Formula> (1,328)
C21H23N3O2S2

>  <MolWeight> (1,328)
413.55622

>  <PCAT_CMPD_ID> (1,328)
WAY-350457

>  <CNC_ID> (1,328)
359438198

>  <transfer_container_id> (1,328)
PTN000000075

>  <COMPOUND_NUMBER> (1,328)
WAY-350457

>  <BAR_CODE_NO> (1,328)
2560710

>  <LOCATION_CODE> (1,328)
PTNCS

>  <AMOUNT_CURRENT> (1,328)
32.4

$$$$
WAY-350486
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0417   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -2.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -0.9167    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
   -2.5000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    0.5583    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  7  1  0  0  0  0
  5  8  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 12  2  0  0  0  0
 10  1  2  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 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 14  1  0  0  0  0
 20 19  1  0  0  0  0
 17 14  1  0  0  0  0
  9  5  1  0  0  0  0
  4  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,329)
1329

>  <Formula> (1,329)
C16H14N2OS

>  <MolWeight> (1,329)
282.36016

>  <PCAT_CMPD_ID> (1,329)
WAY-350486

>  <CNC_ID> (1,329)
359438224

>  <transfer_container_id> (1,329)
PTN000000075

>  <COMPOUND_NUMBER> (1,329)
WAY-350486

>  <BAR_CODE_NO> (1,329)
2560760

>  <LOCATION_CODE> (1,329)
PTNCS

>  <AMOUNT_CURRENT> (1,329)
32

$$$$
WAY-350539
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -5.1625   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -9.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1542   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -5.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917  -10.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -7.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750   -7.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1417   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -2.2250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7792  -10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542   -2.1750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.7875  -12.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000  -14.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792  -12.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875  -14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042  -15.9792    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  1  2  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  3  2  0  0  0  0
 11  4  2  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  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  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 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
 18 13  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,330)
1330

>  <Formula> (1,330)
C17H14BrClN2O4

>  <MolWeight> (1,330)
425.66106

>  <PCAT_CMPD_ID> (1,330)
WAY-350539

>  <CNC_ID> (1,330)
359438275

>  <transfer_container_id> (1,330)
PTN000000075

>  <COMPOUND_NUMBER> (1,330)
WAY-350539

>  <BAR_CODE_NO> (1,330)
2560738

>  <LOCATION_CODE> (1,330)
PTNCS

>  <AMOUNT_CURRENT> (1,330)
32.8

$$$$
WAY-350575
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   12.7667  -12.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542  -10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542  -12.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750  -11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -14.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792  -14.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417   -9.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -9.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292  -13.4500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -9.4375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -7.3250    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  5  1  0  0  0  0
  5 12  2  0  0  0  0
  6 14  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  2  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 17  2  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
  8 11  2  0  0  0  0
  4  6  2  0  0  0  0
M  END
>  <Mol_ID> (1,331)
1331

>  <Formula> (1,331)
C12H9ClFNO2

>  <MolWeight> (1,331)
253.6567632

>  <PCAT_CMPD_ID> (1,331)
WAY-350575

>  <CNC_ID> (1,331)
359438310

>  <transfer_container_id> (1,331)
PTN000000075

>  <COMPOUND_NUMBER> (1,331)
WAY-350575

>  <BAR_CODE_NO> (1,331)
2560806

>  <LOCATION_CODE> (1,331)
PTNCS

>  <AMOUNT_CURRENT> (1,331)
29.6

$$$$
WAY-350723
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.3542   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -7.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -4.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -0.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1667    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  1  0  0  0  0
  6  5  2  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  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 19  2  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  1  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  1  0  0  0  0
M  END
>  <Mol_ID> (1,332)
1332

>  <Formula> (1,332)
C16H13Cl2FN2O2

>  <MolWeight> (1,332)
355.1910232

>  <PCAT_CMPD_ID> (1,332)
WAY-350723

>  <CNC_ID> (1,332)
359438454

>  <transfer_container_id> (1,332)
PTN000000075

>  <COMPOUND_NUMBER> (1,332)
WAY-350723

>  <BAR_CODE_NO> (1,332)
2561033

>  <LOCATION_CODE> (1,332)
PTNCS

>  <AMOUNT_CURRENT> (1,332)
32.1

$$$$
WAY-350779
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.3167    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5917   -9.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -5.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375  -10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -7.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -5.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    3.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -5.5750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    4.4167    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  4  2  0  0  0  0
  6  2  1  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  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 21  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  2  0  0  0  0
 16  4  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  2  0  0  0  0
 19  8  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 26  1  0  0  0  0
 23  3  1  0  0  0  0
 24  3  1  0  0  0  0
 25 12  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
 22 27  1  0  0  0  0
 12  2  2  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,333)
1333

>  <Formula> (1,333)
C17H17FN2O6S

>  <MolWeight> (1,333)
396.3900832

>  <PCAT_CMPD_ID> (1,333)
WAY-350779

>  <CNC_ID> (1,333)
359438507

>  <transfer_container_id> (1,333)
PTN000000075

>  <COMPOUND_NUMBER> (1,333)
WAY-350779

>  <BAR_CODE_NO> (1,333)
2560972

>  <LOCATION_CODE> (1,333)
PTNCS

>  <AMOUNT_CURRENT> (1,333)
32.8

$$$$
WAY-350848
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.7292   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417  -13.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167  -13.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292  -11.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500  -11.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125  -15.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1375  -12.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -8.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -10.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    0.1708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.5792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -8.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0500  -15.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -5.5292    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 22  1  0  0  0  0
  6 21  1  0  0  0  0
  7 20  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  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  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18  1  1  0  0  0  0
 19  6  1  0  0  0  0
 20 23  2  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23  9  1  0  0  0  0
 24  3  2  0  0  0  0
 25 24  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
 28 15  1  0  0  0  0
  2  7  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,334)
1334

>  <Formula> (1,334)
C19H16F3NO5

>  <MolWeight> (1,334)
395.3292496

>  <PCAT_CMPD_ID> (1,334)
WAY-350848

>  <CNC_ID> (1,334)
359438574

>  <transfer_container_id> (1,334)
PTN000000075

>  <COMPOUND_NUMBER> (1,334)
WAY-350848

>  <BAR_CODE_NO> (1,334)
2561086

>  <LOCATION_CODE> (1,334)
PTNCS

>  <AMOUNT_CURRENT> (1,334)
32.2

$$$$
WAY-350871
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   13.8167   -8.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -9.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -9.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167   -8.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -4.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -4.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -4.3542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875   -6.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5750   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917  -11.4667    0.0000 C   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
   15.4042  -11.5042    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  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
 11 14  1  0  0  0  0
 12  8  2  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 13  2  0  0  0  0
 17 23  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  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  3  1  0  0  0  0
 25  3  1  0  0  0  0
 26 19  1  0  0  0  0
 27 25  1  0  0  0  0
 28 24  1  0  0  0  0
 29 27  1  0  0  0  0
 28 29  1  0  0  0  0
 10 16  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,335)
1335

>  <Formula> (1,335)
C20H23FN2O4S2

>  <MolWeight> (1,335)
438.5360232

>  <PCAT_CMPD_ID> (1,335)
WAY-350871

>  <CNC_ID> (1,335)
359438595

>  <transfer_container_id> (1,335)
PTN000000075

>  <COMPOUND_NUMBER> (1,335)
WAY-350871

>  <BAR_CODE_NO> (1,335)
2561100

>  <LOCATION_CODE> (1,335)
PTNCS

>  <AMOUNT_CURRENT> (1,335)
32.9

$$$$
WAY-350878
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.5017   -2.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1396   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3224   -1.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1672   -2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155   -1.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -3.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293   -1.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983   -3.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5569   -3.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8259   -0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8293    0.1502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155   -1.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1776    0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741    1.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810    1.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8293    1.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8293    2.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1776    2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431    2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190    3.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293    3.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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  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  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,336)
1336

>  <Formula> (1,336)
C17H13NO4

>  <MolWeight> (1,336)
295.28942

>  <PCAT_CMPD_ID> (1,336)
WAY-350878

>  <CNC_ID> (1,336)
359438602

>  <transfer_container_id> (1,336)
PTN000000075

>  <COMPOUND_NUMBER> (1,336)
WAY-350878

>  <BAR_CODE_NO> (1,336)
2561108

>  <LOCATION_CODE> (1,336)
PTNCS

>  <AMOUNT_CURRENT> (1,336)
32.8

$$$$
WAY-350879
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   11.1167  -12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167  -12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -11.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042  -11.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -9.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625  -12.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250  -11.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -7.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750  -13.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -13.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.5667    0.0000 O   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  2  0  0  0  0
  5  1  1  0  0  0  0
  6 15  2  0  0  0  0
  7  4  1  0  0  0  0
  8 18  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 16  1  0  0  0  0
 13  1  2  0  0  0  0
 14  2  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17  5  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
 20  8  1  0  0  0  0
  8  3  2  0  0  0  0
  4  6  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,337)
1337

>  <Formula> (1,337)
C14H12N2O4

>  <MolWeight> (1,337)
272.25608

>  <PCAT_CMPD_ID> (1,337)
WAY-350879

>  <CNC_ID> (1,337)
359438603

>  <transfer_container_id> (1,337)
PTN000000075

>  <COMPOUND_NUMBER> (1,337)
WAY-350879

>  <BAR_CODE_NO> (1,337)
2561109

>  <LOCATION_CODE> (1,337)
PTNCS

>  <AMOUNT_CURRENT> (1,337)
32.2

$$$$
WAY-350881
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
    8.7292   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -4.4375    0.0000 N   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
   10.9167   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125   -0.6417    0.0000 C   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
    5.1042   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -1.9542    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
    6.5417   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917    0.6250    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
   10.9042   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8167    1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2750    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -8.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    3.0500    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
    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  9  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 17  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 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  2  2  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 21  2  0  0  0  0
 19  7  1  0  0  0  0
 20 10  2  0  0  0  0
 21 20  1  0  0  0  0
 22 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24  8  2  0  0  0  0
 25  9  2  0  0  0  0
 26 19  2  0  0  0  0
 27 19  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 30  2  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
  3  5  2  0  0  0  0
 31 25  1  0  0  0  0
 16  7  1  0  0  0  0
 18 12  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,338)
1338

>  <Formula> (1,338)
C28H27N3O3

>  <MolWeight> (1,338)
453.53228

>  <PCAT_CMPD_ID> (1,338)
WAY-350881

>  <CNC_ID> (1,338)
359438604

>  <transfer_container_id> (1,338)
PTN000000075

>  <COMPOUND_NUMBER> (1,338)
WAY-350881

>  <BAR_CODE_NO> (1,338)
2561110

>  <LOCATION_CODE> (1,338)
PTNCS

>  <AMOUNT_CURRENT> (1,338)
32.5

$$$$
WAY-350978
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.7667   -5.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792   -5.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -6.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -5.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -3.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -1.5917    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  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  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  8  2  0  0  0  0
 16 22  1  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20 24  1  0  0  0  0
 21 10  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
 23 16  1  0  0  0  0
 11 20  2  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,339)
1339

>  <Formula> (1,339)
C14H16N4O4S2

>  <MolWeight> (1,339)
368.43124

>  <PCAT_CMPD_ID> (1,339)
WAY-350978

>  <CNC_ID> (1,339)
359438695

>  <transfer_container_id> (1,339)
PTN000000075

>  <COMPOUND_NUMBER> (1,339)
WAY-350978

>  <BAR_CODE_NO> (1,339)
2561234

>  <LOCATION_CODE> (1,339)
PTNCS

>  <AMOUNT_CURRENT> (1,339)
29.3

$$$$
WAY-351004
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.6667   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125   -5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2792   -8.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -8.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4625   -8.4125    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
   10.7417   -8.4917    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 14  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7 11  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  2  0  0  0  0
 12 15  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  1  0  0  0  0
 15 17  2  0  0  0  0
 16  1  1  0  0  0  0
 17 10  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 22 12  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
  5  9  2  0  0  0  0
  7 12  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,340)
1340

>  <Formula> (1,340)
C20H23NO4

>  <MolWeight> (1,340)
341.40092

>  <PCAT_CMPD_ID> (1,340)
WAY-351004

>  <CNC_ID> (1,340)
359438719

>  <transfer_container_id> (1,340)
PTN000000075

>  <COMPOUND_NUMBER> (1,340)
WAY-351004

>  <BAR_CODE_NO> (1,340)
2561219

>  <LOCATION_CODE> (1,340)
PTNCS

>  <AMOUNT_CURRENT> (1,340)
32.3

$$$$
WAY-351067
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.3292   -5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -3.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3125   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -7.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9125   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -7.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750   -5.3167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5375    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  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  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  2  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  6  2  1  0  0  0  0
 16 20  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,341)
1341

>  <Formula> (1,341)
C16H13FN2O3

>  <MolWeight> (1,341)
300.2844232

>  <PCAT_CMPD_ID> (1,341)
WAY-351067

>  <CNC_ID> (1,341)
359438781

>  <transfer_container_id> (1,341)
PTN000000075

>  <COMPOUND_NUMBER> (1,341)
WAY-351067

>  <BAR_CODE_NO> (1,341)
2561292

>  <LOCATION_CODE> (1,341)
PTNCS

>  <AMOUNT_CURRENT> (1,341)
32.5

$$$$
WAY-351099
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.2042  -12.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417  -11.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542  -13.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750  -12.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1917  -10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500  -11.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -9.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -10.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0750  -12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -8.4375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0542   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -8.3542    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  4  2  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 13  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14 21  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 22  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 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 26  1  0  0  0  0
 20 14  1  0  0  0  0
  9  2  2  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,342)
1342

>  <Formula> (1,342)
C19H21FN2O4S

>  <MolWeight> (1,342)
392.4444432

>  <PCAT_CMPD_ID> (1,342)
WAY-351099

>  <CNC_ID> (1,342)
359438809

>  <transfer_container_id> (1,342)
PTN000000075

>  <COMPOUND_NUMBER> (1,342)
WAY-351099

>  <BAR_CODE_NO> (1,342)
2561270

>  <LOCATION_CODE> (1,342)
PTNCS

>  <AMOUNT_CURRENT> (1,342)
32.1

$$$$
WAY-351402
csChFnd80/11182011152D

 28 29  0  0  0  0  0  0  0  0999 V2000
    5.9167   -4.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -4.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -5.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -4.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -6.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4000  -10.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375  -10.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -8.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -8.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625  -11.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -8.5417    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
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 17  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  1  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  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  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  2  0  0  0  0
 17 19  1  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  1  0  0  0  0
 22  3  2  0  0  0  0
 23  5  1  0  0  0  0
 24  5  1  0  0  0  0
 25 11  1  0  0  0  0
 26 12  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 20 13  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,343)
1343

>  <Formula> (1,343)
C19H22ClN3O4S

>  <MolWeight> (1,343)
423.91368

>  <PCAT_CMPD_ID> (1,343)
WAY-351402

>  <CNC_ID> (1,343)
359439098

>  <transfer_container_id> (1,343)
PTN000000075

>  <COMPOUND_NUMBER> (1,343)
WAY-351402

>  <BAR_CODE_NO> (1,343)
2561585

>  <LOCATION_CODE> (1,343)
PTNCS

>  <AMOUNT_CURRENT> (1,343)
32.6

$$$$
WAY-351490
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.7375   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -8.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -6.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -4.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -4.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167  -12.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417  -14.0042    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  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  4  1  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  2  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  1  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  7  1  0  0  0  0
 19 16  1  0  0  0  0
  8 10  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,344)
1344

>  <Formula> (1,344)
C14H21N3OS

>  <MolWeight> (1,344)
279.40104

>  <PCAT_CMPD_ID> (1,344)
WAY-351490

>  <CNC_ID> (1,344)
359439184

>  <transfer_container_id> (1,344)
PTN000000075

>  <COMPOUND_NUMBER> (1,344)
WAY-351490

>  <BAR_CODE_NO> (1,344)
2561798

>  <LOCATION_CODE> (1,344)
PTNCS

>  <AMOUNT_CURRENT> (1,344)
32.5

$$$$
WAY-351498
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.3000   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -4.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -6.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -3.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -5.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -5.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -7.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -7.7125    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  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 12  1  0  0  0  0
 10  9  2  0  0  0  0
 11 17  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  5  1  0  0  0  0
 16  6  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  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 21  1  0  0  0  0
 23 16  1  0  0  0  0
 24 19  1  0  0  0  0
 11 18  1  0  0  0  0
  6  7  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,345)
1345

>  <Formula> (1,345)
C17H22N4O3

>  <MolWeight> (1,345)
330.38158

>  <PCAT_CMPD_ID> (1,345)
WAY-351498

>  <CNC_ID> (1,345)
359439192

>  <transfer_container_id> (1,345)
PTN000000075

>  <COMPOUND_NUMBER> (1,345)
WAY-351498

>  <BAR_CODE_NO> (1,345)
2561750

>  <LOCATION_CODE> (1,345)
PTNCS

>  <AMOUNT_CURRENT> (1,345)
32.4

$$$$
WAY-351606
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   12.0042   -4.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -4.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -3.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -2.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -4.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125   -5.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -3.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -6.6542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.5125   -7.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8667   -5.6542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5167   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.4417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  9  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  1  1  0  0  0  0
  8 15  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  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 22  2  0  0  0  0
 15 26  1  0  0  0  0
 16 10  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  1  0  0  0  0
 21  7  2  0  0  0  0
 22 21  1  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 18  1  0  0  0  0
 27 17  1  0  0  0  0
 28 14  1  0  0  0  0
 15 27  1  0  0  0  0
 14  2  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,346)
1346

>  <Formula> (1,346)
C16H15ClF3N3O3S2

>  <MolWeight> (1,346)
453.8868096

>  <PCAT_CMPD_ID> (1,346)
WAY-351606

>  <CNC_ID> (1,346)
359439299

>  <transfer_container_id> (1,346)
PTN000000075

>  <COMPOUND_NUMBER> (1,346)
WAY-351606

>  <BAR_CODE_NO> (1,346)
2561857

>  <LOCATION_CODE> (1,346)
PTNCS

>  <AMOUNT_CURRENT> (1,346)
32.2

$$$$
WAY-351626
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8792   -5.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -3.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -4.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5625   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -3.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -6.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -5.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875   -8.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4667  -10.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6667  -10.1292    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  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  5  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  3  2  0  0  0  0
 14 17  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20  5  1  0  0  0  0
 21 11  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 14  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
  5  4  1  0  0  0  0
 11 14  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,347)
1347

>  <Formula> (1,347)
C21H22N2O5

>  <MolWeight> (1,347)
382.40978

>  <PCAT_CMPD_ID> (1,347)
WAY-351626

>  <CNC_ID> (1,347)
359439319

>  <transfer_container_id> (1,347)
PTN000000075

>  <COMPOUND_NUMBER> (1,347)
WAY-351626

>  <BAR_CODE_NO> (1,347)
2561884

>  <LOCATION_CODE> (1,347)
PTNCS

>  <AMOUNT_CURRENT> (1,347)
32.6

$$$$
WAY-351689
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.0792   -0.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -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
   14.6042   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.4833    0.0000 O   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
   14.6042   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -4.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -3.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250   -5.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.9042    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
   16.0000   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.5083    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
   13.2125   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    2.3125    0.0000 C   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
   14.6000   -6.6000    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  8  1  0  0  0  0
  5 12  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 13  1  0  0  0  0
 10  2  1  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 19  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  2  0  0  0  0
 17 11  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  2  0  0  0  0
 20  3  2  0  0  0  0
 21  3  1  0  0  0  0
 22  4  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  8  2  0  0  0  0
 27 14  2  0  0  0  0
 28 25  1  0  0  0  0
 29 30  2  0  0  0  0
 30 27  1  0  0  0  0
 18 12  1  0  0  0  0
 25 24  2  0  0  0  0
 29 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,348)
1348

>  <Formula> (1,348)
C21H23N3O5S

>  <MolWeight> (1,348)
429.48942

>  <PCAT_CMPD_ID> (1,348)
WAY-351689

>  <CNC_ID> (1,348)
359439378

>  <transfer_container_id> (1,348)
PTN000000075

>  <COMPOUND_NUMBER> (1,348)
WAY-351689

>  <BAR_CODE_NO> (1,348)
2561985

>  <LOCATION_CODE> (1,348)
PTNCS

>  <AMOUNT_CURRENT> (1,348)
32.7

$$$$
WAY-351716
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.2667   -6.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042   -4.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -7.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792   -8.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792  -11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625   -6.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625  -11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625  -13.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -9.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -0.5792    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  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 13  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 17  2  0  0  0  0
 14  8  2  0  0  0  0
 15  7  2  0  0  0  0
 16  3  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  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 20  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
  3  5  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,349)
1349

>  <Formula> (1,349)
C16H18N4O5

>  <MolWeight> (1,349)
346.33792

>  <PCAT_CMPD_ID> (1,349)
WAY-351716

>  <CNC_ID> (1,349)
359439404

>  <transfer_container_id> (1,349)
PTN000000075

>  <COMPOUND_NUMBER> (1,349)
WAY-351716

>  <BAR_CODE_NO> (1,349)
2561940

>  <LOCATION_CODE> (1,349)
PTNCS

>  <AMOUNT_CURRENT> (1,349)
32.7

$$$$
WAY-351764
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.4750   -5.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -7.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625  -12.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625  -11.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -9.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -6.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000  -13.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167  -12.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917  -10.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -9.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542  -13.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.6167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292  -15.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792  -15.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -0.0750    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  6  1  0  0  0  0
  6 15  1  0  0  0  0
  7 18  1  0  0  0  0
  8  2  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  4  2  0  0  0  0
 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15  7  1  0  0  0  0
 16  6  2  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  1  0  0  0  0
 21 12  1  0  0  0  0
 22 23  2  0  0  0  0
 23 14  1  0  0  0  0
 24 13  2  0  0  0  0
 25 21  1  0  0  0  0
 26 21  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
  7 17  1  0  0  0  0
 29 27  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,350)
1350

>  <Formula> (1,350)
C20H21Cl2N3O3S

>  <MolWeight> (1,350)
454.37004

>  <PCAT_CMPD_ID> (1,350)
WAY-351764

>  <CNC_ID> (1,350)
359439451

>  <transfer_container_id> (1,350)
PTN000000075

>  <COMPOUND_NUMBER> (1,350)
WAY-351764

>  <BAR_CODE_NO> (1,350)
2562021

>  <LOCATION_CODE> (1,350)
PTNCS

>  <AMOUNT_CURRENT> (1,350)
32.1

$$$$
WAY-351817
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.4917   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -7.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -9.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -6.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542  -10.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -10.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792  -12.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667  -10.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -3.5792    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  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  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11 15  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 22  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
  8  5  2  0  0  0  0
  6  7  2  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,351)
1351

>  <Formula> (1,351)
C17H17N3O3S

>  <MolWeight> (1,351)
343.40018

>  <PCAT_CMPD_ID> (1,351)
WAY-351817

>  <CNC_ID> (1,351)
359439504

>  <transfer_container_id> (1,351)
PTN000000075

>  <COMPOUND_NUMBER> (1,351)
WAY-351817

>  <BAR_CODE_NO> (1,351)
2562053

>  <LOCATION_CODE> (1,351)
PTNCS

>  <AMOUNT_CURRENT> (1,351)
33

$$$$
WAY-351822
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.1250   -5.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -7.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -7.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -6.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875  -10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500  -11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042  -11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125  -10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792  -12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -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  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  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  1  1  0  0  0  0
 13 16  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 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 12  1  0  0  0  0
 23 19  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
  5  3  1  0  0  0  0
 10  9  1  0  0  0  0
 25 26  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,352)
1352

>  <Formula> (1,352)
C21H21N3OS

>  <MolWeight> (1,352)
363.47594

>  <PCAT_CMPD_ID> (1,352)
WAY-351822

>  <CNC_ID> (1,352)
359439509

>  <transfer_container_id> (1,352)
PTN000000075

>  <COMPOUND_NUMBER> (1,352)
WAY-351822

>  <BAR_CODE_NO> (1,352)
2562058

>  <LOCATION_CODE> (1,352)
PTNCS

>  <AMOUNT_CURRENT> (1,352)
32.5

$$$$
WAY-351836
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.4917  -12.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250  -14.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042  -11.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -4.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125  -15.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -13.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042  -15.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -7.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792  -15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -9.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -6.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -7.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    2.2833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  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  6  3  0  0  0  0
  9  4  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  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 11  1  0  0  0  0
 21 20  1  0  0  0  0
 22  9  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 13 12  2  0  0  0  0
  4 15  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,353)
1353

>  <Formula> (1,353)
C17H17ClN4OS

>  <MolWeight> (1,353)
360.86108

>  <PCAT_CMPD_ID> (1,353)
WAY-351836

>  <CNC_ID> (1,353)
359439523

>  <transfer_container_id> (1,353)
PTN000000075

>  <COMPOUND_NUMBER> (1,353)
WAY-351836

>  <BAR_CODE_NO> (1,353)
2562073

>  <LOCATION_CODE> (1,353)
PTNCS

>  <AMOUNT_CURRENT> (1,353)
32.4

$$$$
WAY-351848
csChFnd80/11182011152D

 26 27  0  0  0  0  0  0  0  0999 V2000
   13.9417   -9.6750    0.0000 S   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
    0.7292    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875  -10.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042  -11.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -8.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -8.5792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9292   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -4.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625    0.8458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    8.3042    0.0000 Cl  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  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7 21  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 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14  5  1  0  0  0  0
 15  1  1  0  0  0  0
 16  3  2  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
 19 15  1  0  0  0  0
 20 24  1  0  0  0  0
 21 12  1  0  0  0  0
 22 25  2  0  0  0  0
 23  4  1  0  0  0  0
 24 11  1  0  0  0  0
 25  6  1  0  0  0  0
 26 22  1  0  0  0  0
 19 14  1  0  0  0  0
 22  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,354)
1354

>  <Formula> (1,354)
C15H16Cl2N2O6S

>  <MolWeight> (1,354)
423.26834

>  <PCAT_CMPD_ID> (1,354)
WAY-351848

>  <CNC_ID> (1,354)
359439534

>  <transfer_container_id> (1,354)
PTN000000075

>  <COMPOUND_NUMBER> (1,354)
WAY-351848

>  <BAR_CODE_NO> (1,354)
2562136

>  <LOCATION_CODE> (1,354)
PTNCS

>  <AMOUNT_CURRENT> (1,354)
32.9

$$$$
WAY-351868
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.1042  -12.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125  -13.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -10.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542  -14.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417  -12.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -6.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125  -15.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500  -14.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -6.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    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 15  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  3  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16  5  2  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 17  1  0  0  0  0
 21  9  2  0  0  0  0
 22 17  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 12 11  2  0  0  0  0
  4 14  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,355)
1355

>  <Formula> (1,355)
C17H18N4O2S

>  <MolWeight> (1,355)
342.41542

>  <PCAT_CMPD_ID> (1,355)
WAY-351868

>  <CNC_ID> (1,355)
359439553

>  <transfer_container_id> (1,355)
PTN000000075

>  <COMPOUND_NUMBER> (1,355)
WAY-351868

>  <BAR_CODE_NO> (1,355)
2562125

>  <LOCATION_CODE> (1,355)
PTNCS

>  <AMOUNT_CURRENT> (1,355)
32.4

$$$$
WAY-351886
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
   11.6167  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125  -10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2292  -10.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -9.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000  -11.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542  -11.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -6.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -4.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500  -11.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -12.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000  -13.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625  -12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042  -14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375  -14.4500    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  1  0  0  0  0
  6  1  2  0  0  0  0
  7 16  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  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 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  1  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 17  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  2  0  0  0  0
 25 20  2  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 22  1  0  0  0  0
 29 23  2  0  0  0  0
 30 29  1  0  0  0  0
  3  5  2  0  0  0  0
 26 19  2  0  0  0  0
 15  7  1  0  0  0  0
 30 28  2  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,356)
1356

>  <Formula> (1,356)
C25H22N4O

>  <MolWeight> (1,356)
394.46838

>  <PCAT_CMPD_ID> (1,356)
WAY-351886

>  <CNC_ID> (1,356)
359439571

>  <transfer_container_id> (1,356)
PTN000000075

>  <COMPOUND_NUMBER> (1,356)
WAY-351886

>  <BAR_CODE_NO> (1,356)
2562147

>  <LOCATION_CODE> (1,356)
PTNCS

>  <AMOUNT_CURRENT> (1,356)
32.6

$$$$
WAY-351929
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.4792   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.3458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2042   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.4792    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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  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 13  1  0  0  0  0
  2  7  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,357)
1357

>  <Formula> (1,357)
C11H10O4

>  <MolWeight> (1,357)
206.1947

>  <PCAT_CMPD_ID> (1,357)
WAY-351929

>  <CNC_ID> (1,357)
359439616

>  <transfer_container_id> (1,357)
PTN000000075

>  <COMPOUND_NUMBER> (1,357)
WAY-351929

>  <BAR_CODE_NO> (1,357)
2562372

>  <LOCATION_CODE> (1,357)
PTNCS

>  <AMOUNT_CURRENT> (1,357)
33

$$$$
WAY-351932
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   10.4167   -2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4750   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -0.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6042   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -7.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -4.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    4.0417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.4042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -0.8042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.8333    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  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 23  2  0  0  0  0
 12 13  2  0  0  0  0
 13 17  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  8  1  0  0  0  0
 18  2  2  0  0  0  0
 19  4  2  0  0  0  0
 20  6  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 27  1  0  0  0  0
 24 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 27 17  2  0  0  0  0
 28  9  2  0  0  0  0
 29 10  2  0  0  0  0
 30 31  2  0  0  0  0
 31 28  1  0  0  0  0
 10  7  1  0  0  0  0
 22 21  2  0  0  0  0
 29 30  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,358)
1358

>  <Formula> (1,358)
C22H17ClF2N2O4

>  <MolWeight> (1,358)
446.8311864

>  <PCAT_CMPD_ID> (1,358)
WAY-351932

>  <CNC_ID> (1,358)
359439619

>  <transfer_container_id> (1,358)
PTN000000075

>  <COMPOUND_NUMBER> (1,358)
WAY-351932

>  <BAR_CODE_NO> (1,358)
2562177

>  <LOCATION_CODE> (1,358)
PTNCS

>  <AMOUNT_CURRENT> (1,358)
32.7

$$$$
WAY-351947
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.0667   -6.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -8.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500  -11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -7.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042   -6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -12.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2542  -10.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5875   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -2.0250    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
   11.1417   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1542   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -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 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  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  1  1  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  6  2  0  0  0  0
 15 12  2  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  2  0  0  0  0
 21 23  2  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  2  0  0  0  0
  3  8  2  0  0  0  0
 20 24  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,359)
1359

>  <Formula> (1,359)
C18H15N3O3

>  <MolWeight> (1,359)
321.33

>  <PCAT_CMPD_ID> (1,359)
WAY-351947

>  <CNC_ID> (1,359)
359439634

>  <transfer_container_id> (1,359)
PTN000000075

>  <COMPOUND_NUMBER> (1,359)
WAY-351947

>  <BAR_CODE_NO> (1,359)
2562214

>  <LOCATION_CODE> (1,359)
PTNCS

>  <AMOUNT_CURRENT> (1,359)
32.6

$$$$
WAY-351949
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.0417   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -4.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -6.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8042   -8.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -6.5375    0.0000 N   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
   11.5250  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -7.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667  -10.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -5.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -5.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.1750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792  -12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042  -11.9917    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  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  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  3  1  0  0  0  0
 13 12  3  0  0  0  0
 14 18  1  0  0  0  0
 15 11  1  0  0  0  0
 16  4  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  2  1  0  0  0  0
 22 24  2  0  0  0  0
 23  9  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  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 26  1  0  0  0  0
 10  9  2  0  0  0  0
 29 28  1  0  0  0  0
  5  4  2  0  0  0  0
 25 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,360)
1360

>  <Formula> (1,360)
C20H18FN5OS2

>  <MolWeight> (1,360)
427.5182232

>  <PCAT_CMPD_ID> (1,360)
WAY-351949

>  <CNC_ID> (1,360)
359439636

>  <transfer_container_id> (1,360)
PTN000000075

>  <COMPOUND_NUMBER> (1,360)
WAY-351949

>  <BAR_CODE_NO> (1,360)
2562216

>  <LOCATION_CODE> (1,360)
PTNCS

>  <AMOUNT_CURRENT> (1,360)
32.3

$$$$
WAY-351979
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   14.1042   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5875   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -2.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625   -5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -8.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -8.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5292   -6.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5375   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -8.0667    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  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6 16  1  0  0  0  0
  7 15  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  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 12  1  0  0  0  0
 14  7  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  2  1  0  0  0  0
 19  3  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
  4  9  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,361)
1361

>  <Formula> (1,361)
C16H19NO4S

>  <MolWeight> (1,361)
321.39136

>  <PCAT_CMPD_ID> (1,361)
WAY-351979

>  <CNC_ID> (1,361)
359439666

>  <transfer_container_id> (1,361)
PTN000000075

>  <COMPOUND_NUMBER> (1,361)
WAY-351979

>  <BAR_CODE_NO> (1,361)
2562251

>  <LOCATION_CODE> (1,361)
PTNCS

>  <AMOUNT_CURRENT> (1,361)
32.8

$$$$
WAY-351992
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.3292   -5.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -7.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -7.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -6.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -8.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -6.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -9.9167    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
    9.9042   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -2.3917    0.0000 C   0  0  0  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 16  1  0  0  0  0
  8  4  1  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 20  2  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  8  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 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  1  0  0  0  0
 23 11  2  0  0  0  0
 24 11  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  3  1  0  0  0  0
 26 27  2  0  0  0  0
  9 12  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,362)
1362

>  <Formula> (1,362)
C19H18N4O3S

>  <MolWeight> (1,362)
382.43622

>  <PCAT_CMPD_ID> (1,362)
WAY-351992

>  <CNC_ID> (1,362)
359439677

>  <transfer_container_id> (1,362)
PTN000000075

>  <COMPOUND_NUMBER> (1,362)
WAY-351992

>  <BAR_CODE_NO> (1,362)
2562261

>  <LOCATION_CODE> (1,362)
PTNCS

>  <AMOUNT_CURRENT> (1,362)
32

$$$$
WAY-352004
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.8125   -2.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4167   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -3.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -8.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5250   -6.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.4292    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  8  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  5  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 15  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  1  0  0  0  0
 14  4  2  0  0  0  0
 15 18  1  0  0  0  0
 16  9  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21  2  1  0  0  0  0
 22  2  1  0  0  0  0
 23  3  2  0  0  0  0
 24 25  2  0  0  0  0
 25 23  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
 29 26  1  0  0  0  0
 28 27  1  0  0  0  0
  8 24  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,363)
1363

>  <Formula> (1,363)
C20H23N3O5S

>  <MolWeight> (1,363)
417.47872

>  <PCAT_CMPD_ID> (1,363)
WAY-352004

>  <CNC_ID> (1,363)
359439689

>  <transfer_container_id> (1,363)
PTN000000075

>  <COMPOUND_NUMBER> (1,363)
WAY-352004

>  <BAR_CODE_NO> (1,363)
2562290

>  <LOCATION_CODE> (1,363)
PTNCS

>  <AMOUNT_CURRENT> (1,363)
32.6

$$$$
WAY-352051
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   14.5375   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -8.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -3.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -6.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -7.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167  -10.3250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -9.3667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -10.7042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -6.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -6.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917   -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  2  0  0  0  0
  4  3  1  0  0  0  0
  5 15  1  0  0  0  0
  6  4  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  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 22  2  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  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 24  1  0  0  0  0
 22 11  1  0  0  0  0
 23 27  2  0  0  0  0
 24  6  1  0  0  0  0
 25  1  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
 13 29  2  0  0  0  0
  9  5  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,364)
1364

>  <Formula> (1,364)
C19H13ClF3NO5

>  <MolWeight> (1,364)
427.7584296

>  <PCAT_CMPD_ID> (1,364)
WAY-352051

>  <CNC_ID> (1,364)
359439735

>  <transfer_container_id> (1,364)
PTN000000075

>  <COMPOUND_NUMBER> (1,364)
WAY-352051

>  <BAR_CODE_NO> (1,364)
2562350

>  <LOCATION_CODE> (1,364)
PTNCS

>  <AMOUNT_CURRENT> (1,364)
32.4

$$$$
WAY-352092
csChFnd80/11182011152D

 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> (1,365)
1365

>  <Formula> (1,365)
C22H21ClN4O3S2

>  <MolWeight> (1,365)
489.01014

>  <PCAT_CMPD_ID> (1,365)
WAY-352092

>  <CNC_ID> (1,365)
359439774

>  <transfer_container_id> (1,365)
PTN000000075

>  <COMPOUND_NUMBER> (1,365)
WAY-352092

>  <BAR_CODE_NO> (1,365)
2562382

>  <LOCATION_CODE> (1,365)
PTNCS

>  <AMOUNT_CURRENT> (1,365)
32.6

$$$$
WAY-352105
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.1167   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -7.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -4.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8792   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -4.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -7.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.1167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -4.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4417   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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 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 15  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  5  2  0  0  0  0
 18  6  2  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
 19 20  2  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,366)
1366

>  <Formula> (1,366)
C14H8F2N2OS

>  <MolWeight> (1,366)
290.2879264

>  <PCAT_CMPD_ID> (1,366)
WAY-352105

>  <CNC_ID> (1,366)
359439785

>  <transfer_container_id> (1,366)
PTN000000075

>  <COMPOUND_NUMBER> (1,366)
WAY-352105

>  <BAR_CODE_NO> (1,366)
2562462

>  <LOCATION_CODE> (1,366)
PTNCS

>  <AMOUNT_CURRENT> (1,366)
32.9

$$$$
WAY-352107
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   14.6292   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792   -5.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792   -8.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -5.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -4.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -6.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -2.6375    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  3  1  0  0  0  0
  5  7  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  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  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 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
  4  6  1  0  0  0  0
  7 12  2  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,367)
1367

>  <Formula> (1,367)
C16H15N3OS

>  <MolWeight> (1,367)
297.3748

>  <PCAT_CMPD_ID> (1,367)
WAY-352107

>  <CNC_ID> (1,367)
359439787

>  <transfer_container_id> (1,367)
PTN000000075

>  <COMPOUND_NUMBER> (1,367)
WAY-352107

>  <BAR_CODE_NO> (1,367)
2562464

>  <LOCATION_CODE> (1,367)
PTNCS

>  <AMOUNT_CURRENT> (1,367)
32.2

$$$$
WAY-352110
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.9542   -9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667  -10.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -9.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -8.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167  -12.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3875  -12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375  -11.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417  -13.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9417  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -14.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167  -14.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -8.5875    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  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  2  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19 11  2  0  0  0  0
 20 16  2  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 18  1  0  0  0  0
  5  7  1  0  0  0  0
 23 24  2  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,368)
1368

>  <Formula> (1,368)
C18H17N3O3

>  <MolWeight> (1,368)
323.34588

>  <PCAT_CMPD_ID> (1,368)
WAY-352110

>  <CNC_ID> (1,368)
359439790

>  <transfer_container_id> (1,368)
PTN000000075

>  <COMPOUND_NUMBER> (1,368)
WAY-352110

>  <BAR_CODE_NO> (1,368)
2562468

>  <LOCATION_CODE> (1,368)
PTNCS

>  <AMOUNT_CURRENT> (1,368)
32.6

$$$$
WAY-352145
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.8667   -6.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667   -4.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -6.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -5.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -5.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3250   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5542   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9292   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -4.5417    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  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 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  1  0  0  0  0
 13  9  2  0  0  0  0
 14 16  2  0  0  0  0
 15  6  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 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 21  1  0  0  0  0
  5  4  1  0  0  0  0
 22 23  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,369)
1369

>  <Formula> (1,369)
C16H12ClN3OS2

>  <MolWeight> (1,369)
361.86898

>  <PCAT_CMPD_ID> (1,369)
WAY-352145

>  <CNC_ID> (1,369)
359439825

>  <transfer_container_id> (1,369)
PTN000000075

>  <COMPOUND_NUMBER> (1,369)
WAY-352145

>  <BAR_CODE_NO> (1,369)
2562416

>  <LOCATION_CODE> (1,369)
PTNCS

>  <AMOUNT_CURRENT> (1,369)
32.7

$$$$
WAY-352150
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0137   -2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0137   -3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449   -1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758   -2.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1654   -1.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -3.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449   -3.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4967   -2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4967   -3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2240    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4930    1.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173    0.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760    2.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827    3.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9553    2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070    3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654    3.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2553    3.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6758    2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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
  9 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,370)
1370

>  <Formula> (1,370)
C19H20N2O2

>  <MolWeight> (1,370)
308.3743

>  <PCAT_CMPD_ID> (1,370)
WAY-352150

>  <CNC_ID> (1,370)
359439830

>  <transfer_container_id> (1,370)
PTN000000075

>  <COMPOUND_NUMBER> (1,370)
WAY-352150

>  <BAR_CODE_NO> (1,370)
2562421

>  <LOCATION_CODE> (1,370)
PTNCS

>  <AMOUNT_CURRENT> (1,370)
32.6

$$$$
WAY-352154
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.7542  -10.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -8.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -11.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -9.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1250   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417  -12.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -8.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -8.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750   -9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -7.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -9.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125  -13.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1292  -11.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -10.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292  -12.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792  -14.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542  -13.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3667   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542   -7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7792    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  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 22  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  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  2  2  0  0  0  0
 16  7  1  0  0  0  0
 17  3  2  0  0  0  0
 18  5  2  0  0  0  0
 19  7  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 24 10  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 11  1  0  0  0  0
 28 11  1  0  0  0  0
 29 12  2  0  0  0  0
 30 13  2  0  0  0  0
 31 28  1  0  0  0  0
 32 27  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
  8 13  1  0  0  0  0
 20 21  2  0  0  0  0
 33 30  1  0  0  0  0
 23  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,371)
1371

>  <Formula> (1,371)
C25H27N3O5S

>  <MolWeight> (1,371)
481.56398

>  <PCAT_CMPD_ID> (1,371)
WAY-352154

>  <CNC_ID> (1,371)
359439834

>  <transfer_container_id> (1,371)
PTN000000075

>  <COMPOUND_NUMBER> (1,371)
WAY-352154

>  <BAR_CODE_NO> (1,371)
2562437

>  <LOCATION_CODE> (1,371)
PTNCS

>  <AMOUNT_CURRENT> (1,371)
32.3

$$$$
WAY-352168
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2625   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917  -11.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625  -11.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -9.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -6.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -10.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9917   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167  -10.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -9.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8417  -10.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292  -12.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667  -11.3125    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
   11.3375   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -5.2500    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  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  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  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19  3  2  0  0  0  0
 20  8  2  0  0  0  0
 21  9  2  0  0  0  0
 22 16  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  2  0  0  0  0
 27 12  2  0  0  0  0
 28 17  1  0  0  0  0
 29 25  1  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
 18 15  1  0  0  0  0
  5 13  1  0  0  0  0
 24 22  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,372)
1372

>  <Formula> (1,372)
C23H21N3O4S

>  <MolWeight> (1,372)
435.49554

>  <PCAT_CMPD_ID> (1,372)
WAY-352168

>  <CNC_ID> (1,372)
359439848

>  <transfer_container_id> (1,372)
PTN000000075

>  <COMPOUND_NUMBER> (1,372)
WAY-352168

>  <BAR_CODE_NO> (1,372)
2562445

>  <LOCATION_CODE> (1,372)
PTNCS

>  <AMOUNT_CURRENT> (1,372)
32

$$$$
WAY-352172
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.3417   -6.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667  -10.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375  -13.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167  -11.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -8.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792  -12.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -9.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -8.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125  -14.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -7.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167  -15.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167  -12.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500  -13.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -4.8000    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 16  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  1  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18 13  2  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  1  0  0  0  0
 23 14  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 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  2  0  0  0  0
 31 26  1  0  0  0  0
  7 10  1  0  0  0  0
 27 30  1  0  0  0  0
 29 31  2  0  0  0  0
  9  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,373)
1373

>  <Formula> (1,373)
C24H22N4O2S

>  <MolWeight> (1,373)
430.52208

>  <PCAT_CMPD_ID> (1,373)
WAY-352172

>  <CNC_ID> (1,373)
359439852

>  <transfer_container_id> (1,373)
PTN000000075

>  <COMPOUND_NUMBER> (1,373)
WAY-352172

>  <BAR_CODE_NO> (1,373)
2562449

>  <LOCATION_CODE> (1,373)
PTNCS

>  <AMOUNT_CURRENT> (1,373)
32.5

$$$$
WAY-352195
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.9875  -10.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -6.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -9.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250  -10.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917  -12.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625  -13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375  -11.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125  -13.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917  -12.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -2.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667  -14.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750  -14.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292  -15.9917    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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  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  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  9  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 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 13  1  0  0  0  0
 24 15  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  2  0  0  0  0
  4 11  1  0  0  0  0
 13 15  2  0  0  0  0
 25 26  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,374)
1374

>  <Formula> (1,374)
C20H20N2O3S

>  <MolWeight> (1,374)
368.4494

>  <PCAT_CMPD_ID> (1,374)
WAY-352195

>  <CNC_ID> (1,374)
359439875

>  <transfer_container_id> (1,374)
PTN000000075

>  <COMPOUND_NUMBER> (1,374)
WAY-352195

>  <BAR_CODE_NO> (1,374)
2562525

>  <LOCATION_CODE> (1,374)
PTNCS

>  <AMOUNT_CURRENT> (1,374)
29.2

$$$$
WAY-352197
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.8750   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -3.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -6.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -6.9167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4125   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7500   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3 11  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  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13  3  1  0  0  0  0
 14  1  2  0  0  0  0
 15  8  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  5  2  0  0  0  0
 20  6  2  0  0  0  0
 21 10  1  0  0  0  0
 22 18  2  0  0  0  0
 23 13  1  0  0  0  0
 24 11  1  0  0  0  0
 25  2  1  0  0  0  0
 26 23  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
 17 22  1  0  0  0  0
  6  9  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,375)
1375

>  <Formula> (1,375)
C22H22ClNO5

>  <MolWeight> (1,375)
415.86678

>  <PCAT_CMPD_ID> (1,375)
WAY-352197

>  <CNC_ID> (1,375)
359439877

>  <transfer_container_id> (1,375)
PTN000000075

>  <COMPOUND_NUMBER> (1,375)
WAY-352197

>  <BAR_CODE_NO> (1,375)
2562478

>  <LOCATION_CODE> (1,375)
PTNCS

>  <AMOUNT_CURRENT> (1,375)
32.6

$$$$
WAY-352198
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.1667    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542  -13.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375  -11.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -7.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -5.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.5000    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  8  3  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8 14  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 10  1  0  0  0  0
 13  1  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  3  2  0  0  0  0
 17  7  2  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 10  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
 11 18  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C19H19N3OS

>  <MolWeight> (1,376)
337.43866

>  <PCAT_CMPD_ID> (1,376)
WAY-352198

>  <CNC_ID> (1,376)
359439878

>  <transfer_container_id> (1,376)
PTN000000075

>  <COMPOUND_NUMBER> (1,376)
WAY-352198

>  <BAR_CODE_NO> (1,376)
2562479

>  <LOCATION_CODE> (1,376)
PTNCS

>  <AMOUNT_CURRENT> (1,376)
32.6

$$$$
WAY-352234
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.1667   -7.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -9.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -3.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9167   -5.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167  -10.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917  -10.5917    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  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10 22  1  0  0  0  0
 11 18  1  0  0  0  0
 12  2  2  0  0  0  0
 13  9  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  8  2  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 13  2  0  0  0  0
 21 14  1  0  0  0  0
 22 11  1  0  0  0  0
 23 21  2  0  0  0  0
 24  3  1  0  0  0  0
 25  3  1  0  0  0  0
 26  5  2  0  0  0  0
 27  7  2  0  0  0  0
 28 21  1  0  0  0  0
 29 20  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  2  0  0  0  0
  2  4  1  0  0  0  0
 27 31  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,377)
1377

>  <Formula> (1,377)
C23H25N3O5

>  <MolWeight> (1,377)
423.4617

>  <PCAT_CMPD_ID> (1,377)
WAY-352234

>  <CNC_ID> (1,377)
359439914

>  <transfer_container_id> (1,377)
PTN000000075

>  <COMPOUND_NUMBER> (1,377)
WAY-352234

>  <BAR_CODE_NO> (1,377)
2562492

>  <LOCATION_CODE> (1,377)
PTNCS

>  <AMOUNT_CURRENT> (1,377)
32.4

$$$$
WAY-352256
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   13.7792   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -8.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8250   -9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -6.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -7.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042  -10.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7417  -11.3292    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  2  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  5  1  0  0  0  0
  9 14  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15  3  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 20  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
  6  7  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,378)
1378

>  <Formula> (1,378)
C15H14O6

>  <MolWeight> (1,378)
290.26806

>  <PCAT_CMPD_ID> (1,378)
WAY-352256

>  <CNC_ID> (1,378)
359439936

>  <transfer_container_id> (1,378)
PTN000000075

>  <COMPOUND_NUMBER> (1,378)
WAY-352256

>  <BAR_CODE_NO> (1,378)
2562539

>  <LOCATION_CODE> (1,378)
PTNCS

>  <AMOUNT_CURRENT> (1,378)
32.4

$$$$
WAY-352382
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    9.4542   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -6.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -5.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -7.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -5.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875   -7.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4417    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 11  1  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  8  2  0  0  0  0
 11 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13  6  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 16  2  0  0  0  0
 18 15  1  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
  6  2  2  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,379)
1379

>  <Formula> (1,379)
C16H16N2O3

>  <MolWeight> (1,379)
284.30984

>  <PCAT_CMPD_ID> (1,379)
WAY-352382

>  <CNC_ID> (1,379)
359440059

>  <transfer_container_id> (1,379)
PTN000000075

>  <COMPOUND_NUMBER> (1,379)
WAY-352382

>  <BAR_CODE_NO> (1,379)
2562646

>  <LOCATION_CODE> (1,379)
PTNCS

>  <AMOUNT_CURRENT> (1,379)
32.3

$$$$
WAY-352459
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.6167   -5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -4.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -9.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -6.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7542  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -7.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8542   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5792   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -7.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125  -11.1042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7167  -12.3875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -1.0500    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  9  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 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11 14  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  2  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 15  1  0  0  0  0
 21 15  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  7  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
  7  5  2  0  0  0  0
 23 22  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
>  <Mol_ID> (1,380)
1380

>  <Formula> (1,380)
C17H15F3N4O2S

>  <MolWeight> (1,380)
396.3868096

>  <PCAT_CMPD_ID> (1,380)
WAY-352459

>  <CNC_ID> (1,380)
359440133

>  <transfer_container_id> (1,380)
PTN000000075

>  <COMPOUND_NUMBER> (1,380)
WAY-352459

>  <BAR_CODE_NO> (1,380)
2562730

>  <LOCATION_CODE> (1,380)
PTNCS

>  <AMOUNT_CURRENT> (1,380)
32.6

$$$$
WAY-352501
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   12.8000  -12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042  -13.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250  -12.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625  -13.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1167  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625  -14.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -9.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417  -12.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -5.5917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000  -13.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -15.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417  -15.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542  -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  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  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 15  2  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  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  4  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
  7  2  1  0  0  0  0
 19 21  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,381)
1381

>  <Formula> (1,381)
C17H15FN2O

>  <MolWeight> (1,381)
282.3122032

>  <PCAT_CMPD_ID> (1,381)
WAY-352501

>  <CNC_ID> (1,381)
359440175

>  <transfer_container_id> (1,381)
PTN000000075

>  <COMPOUND_NUMBER> (1,381)
WAY-352501

>  <BAR_CODE_NO> (1,381)
2562803

>  <LOCATION_CODE> (1,381)
PTNCS

>  <AMOUNT_CURRENT> (1,381)
32.5

$$$$
WAY-352529
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.6750  -12.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875  -13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542  -10.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0542   -9.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250  -14.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -8.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667  -15.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000  -10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500  -13.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500  -12.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750  -14.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8875  -15.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667  -11.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -9.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7417   -7.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -9.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167  -12.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125   -7.6750    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  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  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 12  2  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19  1  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22  4  1  0  0  0  0
 23 19  1  0  0  0  0
 24 13  1  0  0  0  0
 25 21  1  0  0  0  0
 23 22  1  0  0  0  0
 17 18  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,382)
1382

>  <Formula> (1,382)
C18H19ClN2O3S

>  <MolWeight> (1,382)
378.87306

>  <PCAT_CMPD_ID> (1,382)
WAY-352529

>  <CNC_ID> (1,382)
359440203

>  <transfer_container_id> (1,382)
PTN000000075

>  <COMPOUND_NUMBER> (1,382)
WAY-352529

>  <BAR_CODE_NO> (1,382)
2562841

>  <LOCATION_CODE> (1,382)
PTNCS

>  <AMOUNT_CURRENT> (1,382)
28.9

$$$$
WAY-352532
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   10.3917   -6.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -4.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -8.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792   -8.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -5.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -8.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  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 15  1  0  0  0  0
 18  9  1  0  0  0  0
  3  5  1  0  0  0  0
  9 11  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,383)
1383

>  <Formula> (1,383)
C14H10ClNOS

>  <MolWeight> (1,383)
275.7533

>  <PCAT_CMPD_ID> (1,383)
WAY-352532

>  <CNC_ID> (1,383)
359440206

>  <transfer_container_id> (1,383)
PTN000000075

>  <COMPOUND_NUMBER> (1,383)
WAY-352532

>  <BAR_CODE_NO> (1,383)
2562844

>  <LOCATION_CODE> (1,383)
PTNCS

>  <AMOUNT_CURRENT> (1,383)
29.9

$$$$
WAY-352603
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.3167   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -9.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417  -10.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -8.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542  -10.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125  -11.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -13.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417  -13.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792  -12.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -8.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625  -14.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417  -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  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  7  1  0  0  0  0
  9 13  2  0  0  0  0
 10  8  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  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,384)
1384

>  <Formula> (1,384)
C12H14N2O2S

>  <MolWeight> (1,384)
250.31676

>  <PCAT_CMPD_ID> (1,384)
WAY-352603

>  <CNC_ID> (1,384)
359440271

>  <transfer_container_id> (1,384)
PTN000000075

>  <COMPOUND_NUMBER> (1,384)
WAY-352603

>  <BAR_CODE_NO> (1,384)
2562900

>  <LOCATION_CODE> (1,384)
PTNCS

>  <AMOUNT_CURRENT> (1,384)
32.8

$$$$
WAY-352622
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.0042  -11.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167  -13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792  -10.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3667   -9.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625  -14.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042  -15.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750  -13.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667  -12.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7167  -13.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2375  -15.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -11.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500  -12.0792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -7.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -7.6750    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  5  1  0  0  0  0
  8  6  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  3  2  0  0  0  0
 13  6  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  9  2  0  0  0  0
 18  1  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  4  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 23 22  1  0  0  0  0
 14 15  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,385)
1385

>  <Formula> (1,385)
C17H17ClN2O3S

>  <MolWeight> (1,385)
364.84648

>  <PCAT_CMPD_ID> (1,385)
WAY-352622

>  <CNC_ID> (1,385)
359440290

>  <transfer_container_id> (1,385)
PTN000000075

>  <COMPOUND_NUMBER> (1,385)
WAY-352622

>  <BAR_CODE_NO> (1,385)
2562922

>  <LOCATION_CODE> (1,385)
PTNCS

>  <AMOUNT_CURRENT> (1,385)
32.3

$$$$
WAY-352728
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.5125   -7.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -7.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -9.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -7.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125  -10.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000  -10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000   -9.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6250    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  1  0  0  0  0
  5  2  2  0  0  0  0
  6 24  1  0  0  0  0
  7  3  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 15  1  0  0  0  0
 12 19  2  0  0  0  0
 13  7  1  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 11  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  1  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
 23  6  1  0  0  0  0
 13  9  2  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,386)
1386

>  <Formula> (1,386)
C20H24N2O3

>  <MolWeight> (1,386)
340.41616

>  <PCAT_CMPD_ID> (1,386)
WAY-352728

>  <CNC_ID> (1,386)
359440393

>  <transfer_container_id> (1,386)
PTN000000075

>  <COMPOUND_NUMBER> (1,386)
WAY-352728

>  <BAR_CODE_NO> (1,386)
2563051

>  <LOCATION_CODE> (1,386)
PTNCS

>  <AMOUNT_CURRENT> (1,386)
32.8

$$$$
WAY-352890
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.1094   -0.5154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025   -0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232   -1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    0.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025    0.5191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025   -1.5602    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163   -0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8922    0.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044    0.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044    1.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975   -0.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113    1.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3182    0.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5182    0.5260    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
  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> (1,387)
1387

>  <Formula> (1,387)
C11H13ClN2S

>  <MolWeight> (1,387)
240.75232

>  <PCAT_CMPD_ID> (1,387)
WAY-352890

>  <CNC_ID> (1,387)
359440550

>  <transfer_container_id> (1,387)
PTN000000075

>  <COMPOUND_NUMBER> (1,387)
WAY-352890

>  <BAR_CODE_NO> (1,387)
2563226

>  <LOCATION_CODE> (1,387)
PTNCS

>  <AMOUNT_CURRENT> (1,387)
32.5

$$$$
WAY-352892
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.8155    3.5640    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9318    2.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2123    3.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    4.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3300    2.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4012    2.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588    1.1744    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698    5.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7122    1.3343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672    5.2559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    3.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8882    4.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4128    5.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    1.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997    3.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6817    6.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3751    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4536    1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306    7.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    7.6208    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  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  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 19  1  0  0  0  0
 22 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,388)
1388

>  <Formula> (1,388)
C17H23ClN2OS

>  <MolWeight> (1,388)
338.89532

>  <PCAT_CMPD_ID> (1,388)
WAY-352892

>  <CNC_ID> (1,388)
359440552

>  <transfer_container_id> (1,388)
PTN000000075

>  <COMPOUND_NUMBER> (1,388)
WAY-352892

>  <BAR_CODE_NO> (1,388)
2563228

>  <LOCATION_CODE> (1,388)
PTNCS

>  <AMOUNT_CURRENT> (1,388)
32.5

$$$$
WAY-353373
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.8667   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -8.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    3.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667  -14.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292  -13.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750  -12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    1.8708    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  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  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  2  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 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20 23  1  0  0  0  0
 21  4  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24 20  1  0  0  0  0
 25  6  2  0  0  0  0
 26 27  2  0  0  0  0
 27 25  1  0  0  0  0
  4  3  1  0  0  0  0
 22 20  2  0  0  0  0
 26 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,389)
1389

>  <Formula> (1,389)
C20H17FN2O4

>  <MolWeight> (1,389)
368.3583832

>  <PCAT_CMPD_ID> (1,389)
WAY-353373

>  <CNC_ID> (1,389)
359441017

>  <transfer_container_id> (1,389)
PTN000000075

>  <COMPOUND_NUMBER> (1,389)
WAY-353373

>  <BAR_CODE_NO> (1,389)
2563778

>  <LOCATION_CODE> (1,389)
PTNCS

>  <AMOUNT_CURRENT> (1,389)
32.8

$$$$
WAY-353399
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.7667  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542  -11.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417  -12.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1125  -13.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -9.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792  -14.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417  -10.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917  -10.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542  -13.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917  -14.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042  -13.7792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.3292  -14.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750  -16.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -7.4250    0.0000 C   0  0  0  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  7  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  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  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 16  1  0  0  0  0
 19 17  1  0  0  0  0
 18 19  1  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,390)
1390

>  <Formula> (1,390)
C14H18Br2N2O

>  <MolWeight> (1,390)
390.11352

>  <PCAT_CMPD_ID> (1,390)
WAY-353399

>  <CNC_ID> (1,390)
359441039

>  <transfer_container_id> (1,390)
PTN000000075

>  <COMPOUND_NUMBER> (1,390)
WAY-353399

>  <BAR_CODE_NO> (1,390)
2563738

>  <LOCATION_CODE> (1,390)
PTNCS

>  <AMOUNT_CURRENT> (1,390)
32.1

$$$$
WAY-353035
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.3000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    6.0042    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
   -1.3000   -1.4917    0.0000 N   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
   -2.5833    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833    5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    3.7583    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
   -1.2958    3.0000    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
   -3.6500    1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4708    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750    8.2583    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
   -6.4667    7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1542    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2208    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    9.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    7.6542    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
    2.5917   -0.7417    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 12  1  0  0  0  0
  5  1  1  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 11  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  2  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  2  0  0  0  0
 19  5  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  1  0  0  0  0
 26 19  2  0  0  0  0
 27 26  1  0  0  0  0
 10  4  2  0  0  0  0
 21 27  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,391)
1391

>  <Formula> (1,391)
C22H25N3O2

>  <MolWeight> (1,391)
363.4528

>  <PCAT_CMPD_ID> (1,391)
WAY-353035

>  <CNC_ID> (1,391)
359440691

>  <transfer_container_id> (1,391)
PTN000000075

>  <COMPOUND_NUMBER> (1,391)
WAY-353035

>  <BAR_CODE_NO> (1,391)
2563427

>  <LOCATION_CODE> (1,391)
PTNCS

>  <AMOUNT_CURRENT> (1,391)
32.6

$$$$
WAY-353062
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.8625   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -7.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -5.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792  -10.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -4.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7042   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292  -11.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6500   -9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792  -11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500  -12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8917   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8542   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125  -12.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.2042    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  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  1  2  0  0  0  0
  9  5  2  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  4  1  0  0  0  0
 14  2  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 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  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 20  1  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 25  1  0  0  0  0
 29 27  1  0  0  0  0
 28 24  2  0  0  0  0
 29 26  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,392)
1392

>  <Formula> (1,392)
C25H26N2O2

>  <MolWeight> (1,392)
386.48614

>  <PCAT_CMPD_ID> (1,392)
WAY-353062

>  <CNC_ID> (1,392)
359440717

>  <transfer_container_id> (1,392)
PTN000000075

>  <COMPOUND_NUMBER> (1,392)
WAY-353062

>  <BAR_CODE_NO> (1,392)
2563404

>  <LOCATION_CODE> (1,392)
PTNCS

>  <AMOUNT_CURRENT> (1,392)
32.3

$$$$
WAY-353174
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.5417   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -8.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -6.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -5.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125  -10.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8542   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167  -10.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -1.3875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -1.8625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -3.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792  -12.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792  -11.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167   -9.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.8375    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 18  2  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  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  7  2  0  0  0  0
 18 15  1  0  0  0  0
 19  1  1  0  0  0  0
 20  1  1  0  0  0  0
 21  1  1  0  0  0  0
 22 16  2  0  0  0  0
 23 16  1  0  0  0  0
 24 22  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
  6  5  1  0  0  0  0
 12  2  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,393)
1393

>  <Formula> (1,393)
C19H20F3N3OS

>  <MolWeight> (1,393)
395.4418096

>  <PCAT_CMPD_ID> (1,393)
WAY-353174

>  <CNC_ID> (1,393)
359440826

>  <transfer_container_id> (1,393)
PTN000000075

>  <COMPOUND_NUMBER> (1,393)
WAY-353174

>  <BAR_CODE_NO> (1,393)
2563552

>  <LOCATION_CODE> (1,393)
PTNCS

>  <AMOUNT_CURRENT> (1,393)
32.9

$$$$
WAY-353222
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.7417   -7.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917   -5.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -5.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0917   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -5.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -4.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7375    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  2  0  0  0  0
  5 10  2  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  1  0  0  0  0
 10  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  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 11  2  0  0  0  0
 17  9  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  7  1  0  0  0  0
 24  8  1  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
  2  6  2  0  0  0  0
 15 14  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,394)
1394

>  <Formula> (1,394)
C21H22N4O2

>  <MolWeight> (1,394)
362.42498

>  <PCAT_CMPD_ID> (1,394)
WAY-353222

>  <CNC_ID> (1,394)
359440872

>  <transfer_container_id> (1,394)
PTN000000075

>  <COMPOUND_NUMBER> (1,394)
WAY-353222

>  <BAR_CODE_NO> (1,394)
2563572

>  <LOCATION_CODE> (1,394)
PTNCS

>  <AMOUNT_CURRENT> (1,394)
32.8

$$$$
WAY-353241
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.1667   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -2.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625   -5.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -6.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -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  4  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  3  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  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 11  9  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,395)
1395

>  <Formula> (1,395)
C10H10N2O2S

>  <MolWeight> (1,395)
222.2636

>  <PCAT_CMPD_ID> (1,395)
WAY-353241

>  <CNC_ID> (1,395)
359440890

>  <transfer_container_id> (1,395)
PTN000000075

>  <COMPOUND_NUMBER> (1,395)
WAY-353241

>  <BAR_CODE_NO> (1,395)
2563688

>  <LOCATION_CODE> (1,395)
PTNCS

>  <AMOUNT_CURRENT> (1,395)
32.9

$$$$
WAY-353748
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.2500   -9.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -6.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8792   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7792   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0750   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792  -12.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917  -12.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8917  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -7.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6750   -6.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875  -13.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -5.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792  -13.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917  -14.4792    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  6  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  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  5  2  0  0  0  0
 12  1  2  0  0  0  0
 13 16  2  0  0  0  0
 14 10  2  0  0  0  0
 15  4  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  8  2  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  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 20  1  0  0  0  0
  2 13  1  0  0  0  0
  7  4  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,396)
1396

>  <Formula> (1,396)
C18H20N4O2S

>  <MolWeight> (1,396)
356.442

>  <PCAT_CMPD_ID> (1,396)
WAY-353748

>  <CNC_ID> (1,396)
359441377

>  <transfer_container_id> (1,396)
PTN000000075

>  <COMPOUND_NUMBER> (1,396)
WAY-353748

>  <BAR_CODE_NO> (1,396)
2559680

>  <LOCATION_CODE> (1,396)
PTNCS

>  <AMOUNT_CURRENT> (1,396)
32.4

$$$$
WAY-353896
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.9167   -8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -9.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -8.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -7.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292  -10.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -8.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167  -10.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -7.5667    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  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  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  2  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  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 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 21  1  0  0  0  0
  8  7  1  0  0  0  0
 18 17  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,397)
1397

>  <Formula> (1,397)
C15H14N4O2S

>  <MolWeight> (1,397)
314.36226

>  <PCAT_CMPD_ID> (1,397)
WAY-353896

>  <CNC_ID> (1,397)
359441523

>  <transfer_container_id> (1,397)
PTN000000075

>  <COMPOUND_NUMBER> (1,397)
WAY-353896

>  <BAR_CODE_NO> (1,397)
2564265

>  <LOCATION_CODE> (1,397)
PTNCS

>  <AMOUNT_CURRENT> (1,397)
33

$$$$
WAY-353899
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.4375   -5.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -3.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -5.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1125   -4.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -5.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -4.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -8.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -2.0250    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  6  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  8  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  1  1  0  0  0  0
 11  4  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  8  2  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 11  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
 12  5  1  0  0  0  0
 20 18  1  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,398)
1398

>  <Formula> (1,398)
C17H20N4O2S

>  <MolWeight> (1,398)
344.4313

>  <PCAT_CMPD_ID> (1,398)
WAY-353899

>  <CNC_ID> (1,398)
359441526

>  <transfer_container_id> (1,398)
PTN000000075

>  <COMPOUND_NUMBER> (1,398)
WAY-353899

>  <BAR_CODE_NO> (1,398)
2564269

>  <LOCATION_CODE> (1,398)
PTNCS

>  <AMOUNT_CURRENT> (1,398)
32.1

$$$$
WAY-353969
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.6667   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -6.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -5.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -3.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3417   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -8.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -9.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1042  -11.3042    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 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  5  1  0  0  0  0
 11  4  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  4  1  0  0  0  0
 16  6  2  0  0  0  0
 17  8  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  1  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 21  1  0  0  0  0
 19 23  2  0  0  0  0
  6 10  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,399)
1399

>  <Formula> (1,399)
C17H17FN2O2S

>  <MolWeight> (1,399)
332.3924832

>  <PCAT_CMPD_ID> (1,399)
WAY-353969

>  <CNC_ID> (1,399)
359441597

>  <transfer_container_id> (1,399)
PTN000000075

>  <COMPOUND_NUMBER> (1,399)
WAY-353969

>  <BAR_CODE_NO> (1,399)
2564387

>  <LOCATION_CODE> (1,399)
PTNCS

>  <AMOUNT_CURRENT> (1,399)
32.3

$$$$
WAY-354108
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.9917    8.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917    6.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417    6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   10.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    9.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6250    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
    4.0000    9.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   12.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   11.5500    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  2  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  7  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  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18  3  1  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 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  2  0  0  0  0
  4  9  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,400)
1400

>  <Formula> (1,400)
C19H20N2O3S

>  <MolWeight> (1,400)
356.4387

>  <PCAT_CMPD_ID> (1,400)
WAY-354108

>  <CNC_ID> (1,400)
359441735

>  <transfer_container_id> (1,400)
PTN000000075

>  <COMPOUND_NUMBER> (1,400)
WAY-354108

>  <BAR_CODE_NO> (1,400)
2564331

>  <LOCATION_CODE> (1,400)
PTNCS

>  <AMOUNT_CURRENT> (1,400)
32.7

$$$$
WAY-354358
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.0500    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    4.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -5.2667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    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 10  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7 20  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  2  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  1  0  0  0  0
 14  4  2  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 17  2  0  0  0  0
 24  6  1  0  0  0  0
 25 18  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
 16 15  2  0  0  0  0
 13 21  2  0  0  0  0
 25 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,401)
1401

>  <Formula> (1,401)
C20H15FN2O5

>  <MolWeight> (1,401)
382.3419032

>  <PCAT_CMPD_ID> (1,401)
WAY-354358

>  <CNC_ID> (1,401)
359441948

>  <transfer_container_id> (1,401)
PTN000000075

>  <COMPOUND_NUMBER> (1,401)
WAY-354358

>  <BAR_CODE_NO> (1,401)
2563873

>  <LOCATION_CODE> (1,401)
PTNCS

>  <AMOUNT_CURRENT> (1,401)
32.8

$$$$
WAY-354391
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.9417    1.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1542   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1542    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -2.7875    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  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  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  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  2  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,402)
1402

>  <Formula> (1,402)
C16H21NO4

>  <MolWeight> (1,402)
291.34224

>  <PCAT_CMPD_ID> (1,402)
WAY-354391

>  <CNC_ID> (1,402)
359441970

>  <transfer_container_id> (1,402)
PTN000000075

>  <COMPOUND_NUMBER> (1,402)
WAY-354391

>  <BAR_CODE_NO> (1,402)
2564633

>  <LOCATION_CODE> (1,402)
PTNCS

>  <AMOUNT_CURRENT> (1,402)
32.5

$$$$
WAY-354450
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.5042   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -7.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -7.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250   -6.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -5.6417    0.0000 C   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
    5.8792   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -7.3625    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
    3.6667   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000   -2.0542    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  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  3  0  0  0  0
  7  2  1  0  0  0  0
  8 17  1  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  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  9  1  0  0  0  0
 23  9  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  3  5  1  0  0  0  0
 25 24  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,403)
1403

>  <Formula> (1,403)
C20H26N4S

>  <MolWeight> (1,403)
354.51224

>  <PCAT_CMPD_ID> (1,403)
WAY-354450

>  <CNC_ID> (1,403)
359442021

>  <transfer_container_id> (1,403)
PTN000000075

>  <COMPOUND_NUMBER> (1,403)
WAY-354450

>  <BAR_CODE_NO> (1,403)
2564640

>  <LOCATION_CODE> (1,403)
PTNCS

>  <AMOUNT_CURRENT> (1,403)
32.7

$$$$
WAY-354569
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   13.8375   -4.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -4.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -2.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167   -5.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542   -3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125   -5.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6792   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0375   -1.4375    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
    1.1917   -3.6625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -0.5250    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  8  2  0  0  0  0
  6 14  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 15  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 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16  9  2  0  0  0  0
 17  3  1  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  2  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24  4  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 11  1  0  0  0  0
 28 11  1  0  0  0  0
 29 19  1  0  0  0  0
 30 24  1  0  0  0  0
  5  6  1  0  0  0  0
  4  3  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,404)
1404

>  <Formula> (1,404)
C21H25FN4O3S

>  <MolWeight> (1,404)
432.5116032

>  <PCAT_CMPD_ID> (1,404)
WAY-354569

>  <CNC_ID> (1,404)
359442137

>  <transfer_container_id> (1,404)
PTN000000075

>  <COMPOUND_NUMBER> (1,404)
WAY-354569

>  <BAR_CODE_NO> (1,404)
2564765

>  <LOCATION_CODE> (1,404)
PTNCS

>  <AMOUNT_CURRENT> (1,404)
32.8

$$$$
WAY-354649
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.5292   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8917   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -7.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250   -9.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -5.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -9.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4750   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -2.9542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -1.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -4.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -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  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6 17  1  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  5  1  0  0  0  0
 12 10  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 14  1  0  0  0  0
 17 15  1  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  5  1  0  0  0  0
 22 24  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  2  0  0  0  0
  6 16  1  0  0  0  0
 12 11  2  0  0  0  0
 22  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,405)
1405

>  <Formula> (1,405)
C17H18F3N3O

>  <MolWeight> (1,405)
337.3395296

>  <PCAT_CMPD_ID> (1,405)
WAY-354649

>  <CNC_ID> (1,405)
359442216

>  <transfer_container_id> (1,405)
PTN000000075

>  <COMPOUND_NUMBER> (1,405)
WAY-354649

>  <BAR_CODE_NO> (1,405)
2564860

>  <LOCATION_CODE> (1,405)
PTNCS

>  <AMOUNT_CURRENT> (1,405)
32.7

$$$$
WAY-354686
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.4083   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -4.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -5.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -6.6542    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 12  1  0  0  0  0
  5  6  2  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  1  2  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  3  2  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  2  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 18  1  0  0  0  0
 22 19  1  0  0  0  0
 18 17  1  0  0  0  0
  5 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,406)
1406

>  <Formula> (1,406)
C16H16N2O4

>  <MolWeight> (1,406)
300.30924

>  <PCAT_CMPD_ID> (1,406)
WAY-354686

>  <CNC_ID> (1,406)
359442252

>  <transfer_container_id> (1,406)
PTN000000075

>  <COMPOUND_NUMBER> (1,406)
WAY-354686

>  <BAR_CODE_NO> (1,406)
2564872

>  <LOCATION_CODE> (1,406)
PTNCS

>  <AMOUNT_CURRENT> (1,406)
32.3

$$$$
WAY-354709
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.0667   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000   -7.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250  -10.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -9.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417   -8.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667   -7.3417    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
    6.0750   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -0.4792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -1.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3417  -10.7625    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
  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 13  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10 11  2  0  0  0  0
 11 14  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  8  1  0  0  0  0
 16 22  2  0  0  0  0
 17  6  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 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23  2  1  0  0  0  0
 24  7  1  0  0  0  0
 25 10  1  0  0  0  0
 11  5  1  0  0  0  0
 16 21  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,407)
1407

>  <Formula> (1,407)
C18H15F2N3O2

>  <MolWeight> (1,407)
343.3274064

>  <PCAT_CMPD_ID> (1,407)
WAY-354709

>  <CNC_ID> (1,407)
359442274

>  <transfer_container_id> (1,407)
PTN000000075

>  <COMPOUND_NUMBER> (1,407)
WAY-354709

>  <BAR_CODE_NO> (1,407)
2564920

>  <LOCATION_CODE> (1,407)
PTNCS

>  <AMOUNT_CURRENT> (1,407)
30.9

$$$$
WAY-354725
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.6875    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    0.4083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    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 14  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  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
 10  5  2  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  6  1  0  0  0  0
 15  2  1  0  0  0  0
 16  8  1  0  0  0  0
 17  1  2  0  0  0  0
 18  4  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 18 20  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,408)
1408

>  <Formula> (1,408)
C14H14N2O3S

>  <MolWeight> (1,408)
290.33756

>  <PCAT_CMPD_ID> (1,408)
WAY-354725

>  <CNC_ID> (1,408)
359442290

>  <transfer_container_id> (1,408)
PTN000000075

>  <COMPOUND_NUMBER> (1,408)
WAY-354725

>  <BAR_CODE_NO> (1,408)
2564955

>  <LOCATION_CODE> (1,408)
PTNCS

>  <AMOUNT_CURRENT> (1,408)
32.5

$$$$
WAY-354774
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0003   -0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -0.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003   -1.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4293   -0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8575   -0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722    0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8524    0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411    0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558    0.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5665   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495    1.7306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571    1.7346    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
  5  6  1  0  0  0  0
  3 12  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  6  1  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
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 10 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,409)
1409

>  <Formula> (1,409)
C15H14Cl2N2O

>  <MolWeight> (1,409)
309.19046

>  <PCAT_CMPD_ID> (1,409)
WAY-354774

>  <CNC_ID> (1,409)
359442338

>  <transfer_container_id> (1,409)
PTN000000075

>  <COMPOUND_NUMBER> (1,409)
WAY-354774

>  <BAR_CODE_NO> (1,409)
2565019

>  <LOCATION_CODE> (1,409)
PTNCS

>  <AMOUNT_CURRENT> (1,409)
32.1

$$$$
WAY-354788
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.6167   -4.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -4.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -5.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -5.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -9.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -5.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -9.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -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  1  1  0  0  0  0
  7  2  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  6  1  0  0  0  0
 12 16  1  0  0  0  0
 13  6  2  0  0  0  0
 14 20  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  9  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  2  0  0  0  0
 21 11  2  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
 24 11  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 24  1  0  0  0  0
  5  3  1  0  0  0  0
 21 23  1  0  0  0  0
 14  8  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,410)
1410

>  <Formula> (1,410)
C19H18N4O4S

>  <MolWeight> (1,410)
398.43562

>  <PCAT_CMPD_ID> (1,410)
WAY-354788

>  <CNC_ID> (1,410)
359442350

>  <transfer_container_id> (1,410)
PTN000000075

>  <COMPOUND_NUMBER> (1,410)
WAY-354788

>  <BAR_CODE_NO> (1,410)
2565022

>  <LOCATION_CODE> (1,410)
PTNCS

>  <AMOUNT_CURRENT> (1,410)
32.4

$$$$
WL-230258
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.5675    4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283    2.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5036    5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9085    4.8160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1070    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5244    1.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    6.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6818    6.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0630    0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -0.0189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -1.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085   -2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392   -2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085   -3.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392   -3.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -4.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738   -6.1820    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
  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
 13 15  1  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
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,411)
1411

>  <Formula> (1,411)
C13H12FNO2

>  <MolWeight> (1,411)
233.2382832

>  <PCAT_CMPD_ID> (1,411)
WL-230258

>  <CNC_ID> (1,411)
359442410

>  <transfer_container_id> (1,411)
PTN000000075

>  <COMPOUND_NUMBER> (1,411)
WL-230258

>  <BAR_CODE_NO> (1,411)
2556670

>  <LOCATION_CODE> (1,411)
PTNCS

>  <AMOUNT_CURRENT> (1,411)
32.8

$$$$
WAY-348213
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.0042    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.9708    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
   -3.8125    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    0.2708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  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  1  2  0  0  0  0
  8  9  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 11  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
  2  3  1  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,412)
1412

>  <Formula> (1,412)
C11H10ClN5O

>  <MolWeight> (1,412)
263.683

>  <PCAT_CMPD_ID> (1,412)
WAY-348213

>  <CNC_ID> (1,412)
359442549

>  <transfer_container_id> (1,412)
PTN000000076

>  <COMPOUND_NUMBER> (1,412)
WAY-348213

>  <BAR_CODE_NO> (1,412)
2569178

>  <LOCATION_CODE> (1,412)
PTNCS

>  <AMOUNT_CURRENT> (1,412)
32.5

$$$$
WAY-348354
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0792    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -3.0542    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  5  2  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  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  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 17  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 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
  2  4  1  0  0  0  0
 16 11  2  0  0  0  0
 22 21  2  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,413)
1413

>  <Formula> (1,413)
C20H15N3

>  <MolWeight> (1,413)
297.3532

>  <PCAT_CMPD_ID> (1,413)
WAY-348354

>  <CNC_ID> (1,413)
359442554

>  <transfer_container_id> (1,413)
PTN000000076

>  <COMPOUND_NUMBER> (1,413)
WAY-348354

>  <BAR_CODE_NO> (1,413)
2569100

>  <LOCATION_CODE> (1,413)
PTNCS

>  <AMOUNT_CURRENT> (1,413)
32.6

$$$$
WAY-354812
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   11.8667  -11.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -8.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667  -12.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667  -10.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792  -11.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -12.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625  -11.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -8.3417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542  -12.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -6.5417    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
    6.1542   -5.6417    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  8  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  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 12  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  7  2  0  0  0  0
 18  7  1  0  0  0  0
 19 21  1  0  0  0  0
 20 16  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  6  2  0  0  0  0
 25 16  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 22 19  2  0  0  0  0
 14  3  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,414)
1414

>  <Formula> (1,414)
C19H20ClFN2O3S

>  <MolWeight> (1,414)
410.8901032

>  <PCAT_CMPD_ID> (1,414)
WAY-354812

>  <CNC_ID> (1,414)
359442620

>  <transfer_container_id> (1,414)
PTN000000076

>  <COMPOUND_NUMBER> (1,414)
WAY-354812

>  <BAR_CODE_NO> (1,414)
2565083

>  <LOCATION_CODE> (1,414)
PTNCS

>  <AMOUNT_CURRENT> (1,414)
32.2

$$$$
WAY-354885
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   10.2500   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -5.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -2.9917    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
   11.2417   -5.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5292   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5125   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6417    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 12  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  6  2  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  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
  9  8  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,415)
1415

>  <Formula> (1,415)
C14H15NO3S

>  <MolWeight> (1,415)
277.3388

>  <PCAT_CMPD_ID> (1,415)
WAY-354885

>  <CNC_ID> (1,415)
359442658

>  <transfer_container_id> (1,415)
PTN000000076

>  <COMPOUND_NUMBER> (1,415)
WAY-354885

>  <BAR_CODE_NO> (1,415)
2565171

>  <LOCATION_CODE> (1,415)
PTNCS

>  <AMOUNT_CURRENT> (1,415)
32.1

$$$$
WAY-354936
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.3417   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -3.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -5.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9667   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9667   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -3.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -3.8500    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  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  2  0  0  0  0
 10 17  2  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  5  1  0  0  0  0
 15 19  1  0  0  0  0
 16 15  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
  6  5  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,416)
1416

>  <Formula> (1,416)
C11H9ClN4OS2

>  <MolWeight> (1,416)
312.79836

>  <PCAT_CMPD_ID> (1,416)
WAY-354936

>  <CNC_ID> (1,416)
359442709

>  <transfer_container_id> (1,416)
PTN000000076

>  <COMPOUND_NUMBER> (1,416)
WAY-354936

>  <BAR_CODE_NO> (1,416)
2565156

>  <LOCATION_CODE> (1,416)
PTNCS

>  <AMOUNT_CURRENT> (1,416)
32.6

$$$$
WAY-354941
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.2625   -2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -5.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -4.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -3.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -6.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -3.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417  -11.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6500  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042    4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667  -14.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -14.3250    0.0000 C   0  0  0  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 11  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  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 19  1  0  0  0  0
 16 14  1  0  0  0  0
 17 23  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  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
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  1  0  0  0  0
  4  3  1  0  0  0  0
 15 18  2  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,417)
1417

>  <Formula> (1,417)
C17H17N5O3S

>  <MolWeight> (1,417)
371.41358

>  <PCAT_CMPD_ID> (1,417)
WAY-354941

>  <CNC_ID> (1,417)
359442714

>  <transfer_container_id> (1,417)
PTN000000076

>  <COMPOUND_NUMBER> (1,417)
WAY-354941

>  <BAR_CODE_NO> (1,417)
2565161

>  <LOCATION_CODE> (1,417)
PTNCS

>  <AMOUNT_CURRENT> (1,417)
29.7

$$$$
WAY-355006
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.4750   -9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -8.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -9.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292  -10.6042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667  -10.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875  -11.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000  -11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667  -10.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -1.8167    0.0000 C   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
    2.8292   -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  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 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  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 12  2  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 10  1  0  0  0  0
 21  2  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
  9 18  2  0  0  0  0
 10 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,418)
1418

>  <Formula> (1,418)
C19H24N2O2S

>  <MolWeight> (1,418)
344.47106

>  <PCAT_CMPD_ID> (1,418)
WAY-355006

>  <CNC_ID> (1,418)
359442777

>  <transfer_container_id> (1,418)
PTN000000076

>  <COMPOUND_NUMBER> (1,418)
WAY-355006

>  <BAR_CODE_NO> (1,418)
2565245

>  <LOCATION_CODE> (1,418)
PTNCS

>  <AMOUNT_CURRENT> (1,418)
32.3

$$$$
WAY-355031
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.5034   -0.0926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034   -0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    0.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    0.8246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -0.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690    0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -1.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    0.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -0.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586   -0.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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  7  1  0  0  0  0
 11 14  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,419)
1419

>  <Formula> (1,419)
C15H15N3O2

>  <MolWeight> (1,419)
269.2985

>  <PCAT_CMPD_ID> (1,419)
WAY-355031

>  <CNC_ID> (1,419)
359442800

>  <transfer_container_id> (1,419)
PTN000000076

>  <COMPOUND_NUMBER> (1,419)
WAY-355031

>  <BAR_CODE_NO> (1,419)
2565257

>  <LOCATION_CODE> (1,419)
PTNCS

>  <AMOUNT_CURRENT> (1,419)
26.4

$$$$
WAY-355449
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   14.1542  -10.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -6.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500  -11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -9.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875  -10.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -7.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -9.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -7.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -5.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667  -10.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792  -12.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667  -13.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542  -13.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917  -14.1167    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  1  1  0  0  0  0
  7  2  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 13  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18  5  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
 15 12  1  0  0  0  0
 21 19  2  0  0  0  0
  9  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,420)
1420

>  <Formula> (1,420)
C14H15N5OS

>  <MolWeight> (1,420)
301.3668

>  <PCAT_CMPD_ID> (1,420)
WAY-355449

>  <CNC_ID> (1,420)
359443209

>  <transfer_container_id> (1,420)
PTN000000076

>  <COMPOUND_NUMBER> (1,420)
WAY-355449

>  <BAR_CODE_NO> (1,420)
2565766

>  <LOCATION_CODE> (1,420)
PTNCS

>  <AMOUNT_CURRENT> (1,420)
28.8

$$$$
WAY-356790
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.8083    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -5.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    3.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    1.3083    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  3  0  0  0  0
  9  3  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 11  2  0  0  0  0
 16 20  1  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19  5  1  0  0  0  0
 20 24  2  0  0  0  0
 21 23  1  0  0  0  0
 22  6  1  0  0  0  0
 23 17  2  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 28  1  0  0  0  0
 28 19  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
  3  4  1  0  0  0  0
 22 27  2  0  0  0  0
 21 16  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1421

>  <Formula> (1,421)
C24H17N5O2

>  <MolWeight> (1,421)
407.42408

>  <PCAT_CMPD_ID> (1,421)
WAY-356790

>  <CNC_ID> (1,421)
359444527

>  <transfer_container_id> (1,421)
PTN000000076

>  <COMPOUND_NUMBER> (1,421)
WAY-356790

>  <BAR_CODE_NO> (1,421)
2567471

>  <LOCATION_CODE> (1,421)
PTNCS

>  <AMOUNT_CURRENT> (1,421)
32.8

$$$$
WAY-357614
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6583    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  8  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  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  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 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  3  4  1  0  0  0  0
 15 11  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,422)
1422

>  <Formula> (1,422)
C18H17NO3

>  <MolWeight> (1,422)
295.33248

>  <PCAT_CMPD_ID> (1,422)
WAY-357614

>  <CNC_ID> (1,422)
359445337

>  <transfer_container_id> (1,422)
PTN000000076

>  <COMPOUND_NUMBER> (1,422)
WAY-357614

>  <BAR_CODE_NO> (1,422)
2568164

>  <LOCATION_CODE> (1,422)
PTNCS

>  <AMOUNT_CURRENT> (1,422)
32.4

$$$$
WAY-357954
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0897    0.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    0.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.2515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379    0.6481    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0655    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207   -0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    1.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.0067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -1.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    1.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9621   -1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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  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
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 19 21  2  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> (1,423)
1423

>  <Formula> (1,423)
C16H15N2O2P

>  <MolWeight> (1,423)
298.276261

>  <PCAT_CMPD_ID> (1,423)
WAY-357954

>  <CNC_ID> (1,423)
359445695

>  <transfer_container_id> (1,423)
PTN000000076

>  <COMPOUND_NUMBER> (1,423)
WAY-357954

>  <BAR_CODE_NO> (1,423)
2569090

>  <LOCATION_CODE> (1,423)
PTNCS

>  <AMOUNT_CURRENT> (1,423)
32.3

$$$$
WAY-357958
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.6356    0.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1311    0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8356    0.6756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0731   -0.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769   -0.3744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0731    0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481   -0.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769    0.9006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269    0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064   -1.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7981    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0356   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3189   -1.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564   -2.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2436   -1.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0231   -2.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144   -3.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936   -0.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936    1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3064    2.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231    1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4856   -3.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6811   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6811    0.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2519    2.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0231    2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564    3.1006    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  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  5  1  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 11  1  0  0  0  0
 14 11  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  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  2  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  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  7  1  0  0  0  0
  9 10  2  0  0  0  0
 16 15  1  0  0  0  0
 28 27  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
1424

>  <Formula> (1,424)
C23H18N4O

>  <MolWeight> (1,424)
366.41522

>  <PCAT_CMPD_ID> (1,424)
WAY-357958

>  <CNC_ID> (1,424)
359445699

>  <transfer_container_id> (1,424)
PTN000000076

>  <COMPOUND_NUMBER> (1,424)
WAY-357958

>  <BAR_CODE_NO> (1,424)
2569101

>  <LOCATION_CODE> (1,424)
PTNCS

>  <AMOUNT_CURRENT> (1,424)
32.2

$$$$
WAY-358417
csChFnd80/11182011152D

 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 F   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> (1,425)
1425

>  <Formula> (1,425)
C22H20FN5OS

>  <MolWeight> (1,425)
421.4905032

>  <PCAT_CMPD_ID> (1,425)
WAY-358417

>  <CNC_ID> (1,425)
359446141

>  <transfer_container_id> (1,425)
PTN000000076

>  <COMPOUND_NUMBER> (1,425)
WAY-358417

>  <BAR_CODE_NO> (1,425)
2569624

>  <LOCATION_CODE> (1,425)
PTNCS

>  <AMOUNT_CURRENT> (1,425)
32.4

$$$$
WAY-358531
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.4208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.8667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8542   -2.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4333    1.1500    0.0000 N   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
    0.4542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.9000    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  7  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  1  2  0  0  0  0
 10  2  2  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 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 18  2  0  0  0  0
  2  5  1  0  0  0  0
 17 19  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1426

>  <Formula> (1,426)
C16H19NO2

>  <MolWeight> (1,426)
257.32756

>  <PCAT_CMPD_ID> (1,426)
WAY-358531

>  <CNC_ID> (1,426)
359446245

>  <transfer_container_id> (1,426)
PTN000000076

>  <COMPOUND_NUMBER> (1,426)
WAY-358531

>  <BAR_CODE_NO> (1,426)
2569742

>  <LOCATION_CODE> (1,426)
PTNCS

>  <AMOUNT_CURRENT> (1,426)
32.4

$$$$
WAY-358542
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.2625   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.5500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2500   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.3000    0.0000 N   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
   -1.7958   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.6500    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
    2.0500   -3.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -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  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  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
 21 17  2  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,427)
1427

>  <Formula> (1,427)
C15H13N5O

>  <MolWeight> (1,427)
279.29662

>  <PCAT_CMPD_ID> (1,427)
WAY-358542

>  <CNC_ID> (1,427)
359446256

>  <transfer_container_id> (1,427)
PTN000000076

>  <COMPOUND_NUMBER> (1,427)
WAY-358542

>  <BAR_CODE_NO> (1,427)
2569745

>  <LOCATION_CODE> (1,427)
PTNCS

>  <AMOUNT_CURRENT> (1,427)
32.8

$$$$
WAY-358624
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.6998   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515   -1.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485   -0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6515   -2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6515   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3998   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3998   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519    0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002    1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485    2.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002    2.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002    2.9103    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
  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
  7 10  1  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
 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  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  6  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,428)
1428

>  <Formula> (1,428)
C17H19N5

>  <MolWeight> (1,428)
293.36626

>  <PCAT_CMPD_ID> (1,428)
WAY-358624

>  <CNC_ID> (1,428)
359446336

>  <transfer_container_id> (1,428)
PTN000000076

>  <COMPOUND_NUMBER> (1,428)
WAY-358624

>  <BAR_CODE_NO> (1,428)
2569812

>  <LOCATION_CODE> (1,428)
PTNCS

>  <AMOUNT_CURRENT> (1,428)
32.8

$$$$
WAY-358714
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.6625    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.0125    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
   -1.9208    1.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.0875    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
  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  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 10  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 14  1  0  0  0  0
 18 17  2  0  0  0  0
  4  6  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,429)
1429

>  <Formula> (1,429)
C11H10N4O3

>  <MolWeight> (1,429)
246.2221

>  <PCAT_CMPD_ID> (1,429)
WAY-358714

>  <CNC_ID> (1,429)
359446421

>  <transfer_container_id> (1,429)
PTN000000076

>  <COMPOUND_NUMBER> (1,429)
WAY-358714

>  <BAR_CODE_NO> (1,429)
2569904

>  <LOCATION_CODE> (1,429)
PTNCS

>  <AMOUNT_CURRENT> (1,429)
32.5

$$$$
WAY-358718
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4292   -2.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -2.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -3.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -1.2750    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
    2.0167   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -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  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  2  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  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14 10  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  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  2  0  0  0  0
  5  3  2  0  0  0  0
 20 16  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,430)
1430

>  <Formula> (1,430)
C15H13NO4S

>  <MolWeight> (1,430)
303.33302

>  <PCAT_CMPD_ID> (1,430)
WAY-358718

>  <CNC_ID> (1,430)
359446425

>  <transfer_container_id> (1,430)
PTN000000076

>  <COMPOUND_NUMBER> (1,430)
WAY-358718

>  <BAR_CODE_NO> (1,430)
2569896

>  <LOCATION_CODE> (1,430)
PTNCS

>  <AMOUNT_CURRENT> (1,430)
32.5

$$$$
WAY-358755
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2500    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.6458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.4833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.3958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    3.9583    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  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  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
 16 14  1  0  0  0  0
 17  7  2  0  0  0  0
 18 16  2  0  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21  4  1  0  0  0  0
 22 16  1  0  0  0  0
 23 13  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  2  0  0  0  0
 13 12  2  0  0  0  0
 28 27  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,431)
1431

>  <Formula> (1,431)
C16H14F3N3O5S

>  <MolWeight> (1,431)
417.3596696

>  <PCAT_CMPD_ID> (1,431)
WAY-358755

>  <CNC_ID> (1,431)
359446461

>  <transfer_container_id> (1,431)
PTN000000076

>  <COMPOUND_NUMBER> (1,431)
WAY-358755

>  <BAR_CODE_NO> (1,431)
2569957

>  <LOCATION_CODE> (1,431)
PTNCS

>  <AMOUNT_CURRENT> (1,431)
32.8

$$$$
WAY-358762
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.8214    0.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765    0.1913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283    1.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421    0.3086    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3938   -0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972    2.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -1.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476    1.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041    3.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2786   -1.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0545    0.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2648    2.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8338   -2.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8131   -0.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8993   -0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1166    1.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338   -2.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235    0.2569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890   -3.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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  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
 18 20  1  0  0  0  0
  5  7  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,432)
1432

>  <Formula> (1,432)
C13H13N3O3S

>  <MolWeight> (1,432)
291.32562

>  <PCAT_CMPD_ID> (1,432)
WAY-358762

>  <CNC_ID> (1,432)
359446466

>  <transfer_container_id> (1,432)
PTN000000076

>  <COMPOUND_NUMBER> (1,432)
WAY-358762

>  <BAR_CODE_NO> (1,432)
2569941

>  <LOCATION_CODE> (1,432)
PTNCS

>  <AMOUNT_CURRENT> (1,432)
32.8

$$$$
WAY-358797
csChFnd80/11182011152D

 18 23  0  0  0  0  0  0  0  0999 V2000
    3.0917   -4.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9167   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -3.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3417   -4.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9042   -5.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9042   -4.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9042   -5.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6667   -5.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -3.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9042   -3.9375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3917   -3.3917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1792   -3.9250    0.0000 C   0  0  3  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
    4.3500   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -5.4542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -3.9042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -4.0542    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  1  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  1  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  6  1  0  0  0  0
 13 11  1  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 14  2  0  0  0  0
 18 14  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
  6  5  1  0  0  0  0
 10  7  1  0  0  0  0
 12 13  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,433)
1433

>  <Formula> (1,433)
C13H13F2NO2

>  <MolWeight> (1,433)
253.2446264

>  <PCAT_CMPD_ID> (1,433)
WAY-358797

>  <CNC_ID> (1,433)
359446501

>  <transfer_container_id> (1,433)
PTN000000076

>  <COMPOUND_NUMBER> (1,433)
WAY-358797

>  <BAR_CODE_NO> (1,433)
2569991

>  <LOCATION_CODE> (1,433)
PTNCS

>  <AMOUNT_CURRENT> (1,433)
33

$$$$
WAY-358809
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9333    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.4833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5625    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8000    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.4500    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
    1.4792   -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  4  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  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  2  0  0  0  0
 13  1  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 19  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  2  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 21  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 23  2  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
  5  7  1  0  0  0  0
 30 29  2  0  0  0  0
 20 16  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,434)
1434

>  <Formula> (1,434)
C25H25NO4

>  <MolWeight> (1,434)
403.4703

>  <PCAT_CMPD_ID> (1,434)
WAY-358809

>  <CNC_ID> (1,434)
359446511

>  <transfer_container_id> (1,434)
PTN000000076

>  <COMPOUND_NUMBER> (1,434)
WAY-358809

>  <BAR_CODE_NO> (1,434)
2570010

>  <LOCATION_CODE> (1,434)
PTNCS

>  <AMOUNT_CURRENT> (1,434)
32.3

$$$$
WAY-358821
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.7125    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.5000    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
    0.0000   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    2.0458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.1542    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
   -2.9125    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -3.4000    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  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 18  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 17  2  0  0  0  0
 19 16  1  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
 27 24  1  0  0  0  0
 28 26  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,435)
1435

>  <Formula> (1,435)
C21H22ClN5O

>  <MolWeight> (1,435)
395.88528

>  <PCAT_CMPD_ID> (1,435)
WAY-358821

>  <CNC_ID> (1,435)
359446523

>  <transfer_container_id> (1,435)
PTN000000076

>  <COMPOUND_NUMBER> (1,435)
WAY-358821

>  <BAR_CODE_NO> (1,435)
2570027

>  <LOCATION_CODE> (1,435)
PTNCS

>  <AMOUNT_CURRENT> (1,435)
32.8

$$$$
WAY-358867
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8500   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -3.3667    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  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  9  1  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  8  2  0  0  0  0
 14 12  1  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 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  5 10  1  0  0  0  0
  7  4  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,436)
1436

>  <Formula> (1,436)
C14H12N6

>  <MolWeight> (1,436)
264.28528

>  <PCAT_CMPD_ID> (1,436)
WAY-358867

>  <CNC_ID> (1,436)
359446568

>  <transfer_container_id> (1,436)
PTN000000076

>  <COMPOUND_NUMBER> (1,436)
WAY-358867

>  <BAR_CODE_NO> (1,436)
2570067

>  <LOCATION_CODE> (1,436)
PTNCS

>  <AMOUNT_CURRENT> (1,436)
32.3

$$$$
WAY-358876
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0623    1.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    0.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297    1.7906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7177    1.7906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313   -0.0424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7763    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037    1.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7943   -0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6443    1.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.2756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583   -0.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903   -1.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547    0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4017    1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053   -1.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -1.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837   -0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6627    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2017   -1.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1883   -2.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3867    0.0746    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  3  1  0  0  0  0
  6  5  2  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  1  1  0  0  0  0
 10  6  1  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  7  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 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 17  1  0  0  0  0
  4  7  2  0  0  0  0
  8 11  2  0  0  0  0
 22 18  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,437)
1437

>  <Formula> (1,437)
C17H18N4S

>  <MolWeight> (1,437)
310.41662

>  <PCAT_CMPD_ID> (1,437)
WAY-358876

>  <CNC_ID> (1,437)
359446577

>  <transfer_container_id> (1,437)
PTN000000076

>  <COMPOUND_NUMBER> (1,437)
WAY-358876

>  <BAR_CODE_NO> (1,437)
2570072

>  <LOCATION_CODE> (1,437)
PTNCS

>  <AMOUNT_CURRENT> (1,437)
32.8

$$$$
WAY-358922-A
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.3875   -2.5292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0167   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -4.2667    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
   -0.2333   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -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  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  6  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  2  0  0  0  0
 12  9  1  0  0  0  0
 13  2  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 15  1  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 13  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 24  1  0  0  0  0
 26 22  1  0  0  0  0
  2  4  1  0  0  0  0
 26 21  1  0  0  0  0
 17 16  2  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,438)
1438

>  <Formula> (1,438)
C23H25N2O+

>  <MolWeight> (1,438)
345.4574

>  <PCAT_CMPD_ID> (1,438)
WAY-358922-A

>  <CNC_ID> (1,438)
359446628

>  <transfer_container_id> (1,438)
PTN000000076

>  <COMPOUND_NUMBER> (1,438)
WAY-358922-A

>  <BAR_CODE_NO> (1,438)
2570105

>  <LOCATION_CODE> (1,438)
PTNCS

>  <AMOUNT_CURRENT> (1,438)
32.3

$$$$
WAY-358958
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1833   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1458    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    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  2  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  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  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  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  1  0  0  0  0
 22 21  2  0  0  0  0
 23 18  1  0  0  0  0
 20 22  1  0  0  0  0
 11 17  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,439)
1439

>  <Formula> (1,439)
C17H24N2O3S

>  <MolWeight> (1,439)
336.44906

>  <PCAT_CMPD_ID> (1,439)
WAY-358958

>  <CNC_ID> (1,439)
359446663

>  <transfer_container_id> (1,439)
PTN000000076

>  <COMPOUND_NUMBER> (1,439)
WAY-358958

>  <BAR_CODE_NO> (1,439)
2570164

>  <LOCATION_CODE> (1,439)
PTNCS

>  <AMOUNT_CURRENT> (1,439)
32.4

$$$$
WAY-359269
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6000    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.1708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.2375    0.0000 C   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
   -1.8333    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -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  6  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  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13 15  2  0  0  0  0
 14  7  1  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  9  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  2  0  0  0  0
  8  9  2  0  0  0  0
 20 19  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,440)
1440

>  <Formula> (1,440)
C15H11NO3S

>  <MolWeight> (1,440)
285.31774

>  <PCAT_CMPD_ID> (1,440)
WAY-359269

>  <CNC_ID> (1,440)
359446961

>  <transfer_container_id> (1,440)
PTN000000076

>  <COMPOUND_NUMBER> (1,440)
WAY-359269

>  <BAR_CODE_NO> (1,440)
2570507

>  <LOCATION_CODE> (1,440)
PTNCS

>  <AMOUNT_CURRENT> (1,440)
32.5

$$$$
WAY-359270
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.6960   -1.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -1.1935    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8339   -1.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -0.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684   -2.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040   -2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4592    0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4316   -1.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3684   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3684   -2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316    0.6548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    1.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4339   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4339   -2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0661    1.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9684   -1.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316    2.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1316    1.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0661    3.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661    2.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1316    3.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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 11  2  0  0  0  0
 17 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,441)
1441

>  <Formula> (1,441)
C16H17N3O4S

>  <MolWeight> (1,441)
347.38888

>  <PCAT_CMPD_ID> (1,441)
WAY-359270

>  <CNC_ID> (1,441)
359446962

>  <transfer_container_id> (1,441)
PTN000000076

>  <COMPOUND_NUMBER> (1,441)
WAY-359270

>  <BAR_CODE_NO> (1,441)
2570510

>  <LOCATION_CODE> (1,441)
PTNCS

>  <AMOUNT_CURRENT> (1,441)
32.4

$$$$
WAY-359285
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.6792   -4.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -1.4917    0.0000 N   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
    6.3917   -4.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750   -1.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6667   -0.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8167   -5.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -1.8917    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  7  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 14  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 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 22  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 23  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 15  1  0  0  0  0
 25 14  1  0  0  0  0
 16 21  1  0  0  0  0
  6 20  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,442)
1442

>  <Formula> (1,442)
C17H24N2O5S

>  <MolWeight> (1,442)
368.44786

>  <PCAT_CMPD_ID> (1,442)
WAY-359285

>  <CNC_ID> (1,442)
359446976

>  <transfer_container_id> (1,442)
PTN000000076

>  <COMPOUND_NUMBER> (1,442)
WAY-359285

>  <BAR_CODE_NO> (1,442)
2570526

>  <LOCATION_CODE> (1,442)
PTNCS

>  <AMOUNT_CURRENT> (1,442)
32.8

$$$$
WAY-358969
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -3.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -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  6  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  1  1  0  0  0  0
  8  5  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  9  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
  5  3  1  0  0  0  0
 19 20  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,443)
1443

>  <Formula> (1,443)
C14H16N4O2

>  <MolWeight> (1,443)
272.30244

>  <PCAT_CMPD_ID> (1,443)
WAY-358969

>  <CNC_ID> (1,443)
359446674

>  <transfer_container_id> (1,443)
PTN000000076

>  <COMPOUND_NUMBER> (1,443)
WAY-358969

>  <BAR_CODE_NO> (1,443)
2570174

>  <LOCATION_CODE> (1,443)
PTNCS

>  <AMOUNT_CURRENT> (1,443)
32.6

$$$$
WAY-358995
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2167   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    0.1000    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  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  8  3  0  0  0  0
  7  3  1  0  0  0  0
  8 17  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11 14  2  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 11  1  0  0  0  0
 17 18  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 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
  2  4  1  0  0  0  0
 11 15  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,444)
1444

>  <Formula> (1,444)
C19H16N4O

>  <MolWeight> (1,444)
316.35654

>  <PCAT_CMPD_ID> (1,444)
WAY-358995

>  <CNC_ID> (1,444)
359446700

>  <transfer_container_id> (1,444)
PTN000000076

>  <COMPOUND_NUMBER> (1,444)
WAY-358995

>  <BAR_CODE_NO> (1,444)
2570208

>  <LOCATION_CODE> (1,444)
PTNCS

>  <AMOUNT_CURRENT> (1,444)
32.6

$$$$
WAY-359019
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.0042   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -3.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -2.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -4.5500    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  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  6  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  2  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
 11  2  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,445)
1445

>  <Formula> (1,445)
C16H19N3S

>  <MolWeight> (1,445)
285.40716

>  <PCAT_CMPD_ID> (1,445)
WAY-359019

>  <CNC_ID> (1,445)
359446723

>  <transfer_container_id> (1,445)
PTN000000076

>  <COMPOUND_NUMBER> (1,445)
WAY-359019

>  <BAR_CODE_NO> (1,445)
2570231

>  <LOCATION_CODE> (1,445)
PTNCS

>  <AMOUNT_CURRENT> (1,445)
32.7

$$$$
WAY-359037
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.5500   -1.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -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  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6 19  1  0  0  0  0
  7  6  1  0  0  0  0
  8 15  1  0  0  0  0
  9  6  2  0  0  0  0
 10 26  1  0  0  0  0
 11  3  2  0  0  0  0
 12  3  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 23  2  0  0  0  0
 16 22  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  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 17  2  0  0  0  0
 23 17  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  2  0  0  0  0
 26 14  1  0  0  0  0
 27 13  1  0  0  0  0
 28 21  1  0  0  0  0
 29 21  1  0  0  0  0
 20 24  2  0  0  0  0
 10 27  1  0  0  0  0
  8 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,446)
1446

>  <Formula> (1,446)
C21H26N2O5S

>  <MolWeight> (1,446)
418.50654

>  <PCAT_CMPD_ID> (1,446)
WAY-359037

>  <CNC_ID> (1,446)
359446740

>  <transfer_container_id> (1,446)
PTN000000076

>  <COMPOUND_NUMBER> (1,446)
WAY-359037

>  <BAR_CODE_NO> (1,446)
2570255

>  <LOCATION_CODE> (1,446)
PTNCS

>  <AMOUNT_CURRENT> (1,446)
32.9

$$$$
WAY-359056-A
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.0750    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -4.7625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4 15  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  1  2  0  0  0  0
  9  5  2  0  0  0  0
 10  2  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 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 19  2  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 16  1  0  0  0  0
 21  5  1  0  0  0  0
 22  9  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 16 18  1  0  0  0  0
  4 14  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,447)
1447

>  <Formula> (1,447)
C18H19Cl2N3O

>  <MolWeight> (1,447)
364.26896

>  <PCAT_CMPD_ID> (1,447)
WAY-359056-A

>  <CNC_ID> (1,447)
359446758

>  <transfer_container_id> (1,447)
PTN000000076

>  <COMPOUND_NUMBER> (1,447)
WAY-359056-A

>  <BAR_CODE_NO> (1,447)
2570274

>  <LOCATION_CODE> (1,447)
PTNCS

>  <AMOUNT_CURRENT> (1,447)
33

$$$$
WAY-359060
csChFnd80/11182011152D

 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
    4.1542  -10.1042    0.0000 S   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
    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
    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  -10.7500    0.0000 C   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
    8.0042  -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  2  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  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 10  1  0  0  0  0
 12  3  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 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
 11  8  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,448)
1448

>  <Formula> (1,448)
C16H16N2OS

>  <MolWeight> (1,448)
284.37604

>  <PCAT_CMPD_ID> (1,448)
WAY-359060

>  <CNC_ID> (1,448)
359446762

>  <transfer_container_id> (1,448)
PTN000000076

>  <COMPOUND_NUMBER> (1,448)
WAY-359060

>  <BAR_CODE_NO> (1,448)
2570276

>  <LOCATION_CODE> (1,448)
PTNCS

>  <AMOUNT_CURRENT> (1,448)
32.3

$$$$
WAY-359113
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.9542   -3.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -1.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -4.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -3.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    1.0583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.8917    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  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 12  1  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  5  2  0  0  0  0
 24  8  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 15 14  2  0  0  0  0
 26 24  1  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,449)
1449

>  <Formula> (1,449)
C17H14FN3O3S2

>  <MolWeight> (1,449)
391.4397632

>  <PCAT_CMPD_ID> (1,449)
WAY-359113

>  <CNC_ID> (1,449)
359446811

>  <transfer_container_id> (1,449)
PTN000000076

>  <COMPOUND_NUMBER> (1,449)
WAY-359113

>  <BAR_CODE_NO> (1,449)
2570339

>  <LOCATION_CODE> (1,449)
PTNCS

>  <AMOUNT_CURRENT> (1,449)
32.3

$$$$
WAY-359135
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.1036   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494   -0.8946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339    0.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -1.2863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4464    1.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3839    0.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4339    2.0262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7839    2.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    1.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161    0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6964    0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286    1.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8994    1.4637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0339   -0.2946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661    0.2554    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -1.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9161    0.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869    0.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494    1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4964    2.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131    1.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0161   -2.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -2.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0286   -2.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536   -3.2571    0.0000 C   0  0  0  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  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9 11  1  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  6  1  0  0  0  0
 15 14  3  0  0  0  0
 16 13  3  0  0  0  0
 17 12  1  0  0  0  0
 18  5  1  0  0  0  0
 19 12  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 18  1  0  0  0  0
 25 18  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  3  1  0  0  0  0
 10  9  1  0  0  0  0
 20 21  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,450)
1450

>  <Formula> (1,450)
C22H17N5S

>  <MolWeight> (1,450)
383.46888

>  <PCAT_CMPD_ID> (1,450)
WAY-359135

>  <CNC_ID> (1,450)
359446833

>  <transfer_container_id> (1,450)
PTN000000076

>  <COMPOUND_NUMBER> (1,450)
WAY-359135

>  <BAR_CODE_NO> (1,450)
2570364

>  <LOCATION_CODE> (1,450)
PTNCS

>  <AMOUNT_CURRENT> (1,450)
32.6

$$$$
WAY-359150
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.3750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    2.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    4.9292    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  1  1  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  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  2  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 11  2  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 15  2  0  0  0  0
 21 14  1  0  0  0  0
 22 17  2  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  7  8  1  0  0  0  0
 19 18  2  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,451)
1451

>  <Formula> (1,451)
C21H18N4

>  <MolWeight> (1,451)
326.39442

>  <PCAT_CMPD_ID> (1,451)
WAY-359150

>  <CNC_ID> (1,451)
359446848

>  <transfer_container_id> (1,451)
PTN000000076

>  <COMPOUND_NUMBER> (1,451)
WAY-359150

>  <BAR_CODE_NO> (1,451)
2570379

>  <LOCATION_CODE> (1,451)
PTNCS

>  <AMOUNT_CURRENT> (1,451)
32.7

$$$$
WAY-359164
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0125   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -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  2  1  0  0  0  0
  5  1  2  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  6  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  8  2  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 12  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  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
  4  7  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,452)
1452

>  <Formula> (1,452)
C18H18N4

>  <MolWeight> (1,452)
290.36232

>  <PCAT_CMPD_ID> (1,452)
WAY-359164

>  <CNC_ID> (1,452)
359446860

>  <transfer_container_id> (1,452)
PTN000000076

>  <COMPOUND_NUMBER> (1,452)
WAY-359164

>  <BAR_CODE_NO> (1,452)
2570392

>  <LOCATION_CODE> (1,452)
PTNCS

>  <AMOUNT_CURRENT> (1,452)
32.2

$$$$
WAY-359173
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1708    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2500    2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    0.7500    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
   -1.5125   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.4792    0.0000 C   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
   -3.2500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.9000    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  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  7  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  6  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 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
  5  4  1  0  0  0  0
 15 14  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,453)
1453

>  <Formula> (1,453)
C15H20N2O

>  <MolWeight> (1,453)
244.3321

>  <PCAT_CMPD_ID> (1,453)
WAY-359173

>  <CNC_ID> (1,453)
359446869

>  <transfer_container_id> (1,453)
PTN000000076

>  <COMPOUND_NUMBER> (1,453)
WAY-359173

>  <BAR_CODE_NO> (1,453)
2570405

>  <LOCATION_CODE> (1,453)
PTNCS

>  <AMOUNT_CURRENT> (1,453)
32.9

$$$$
WAY-359186
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8077    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0249    2.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1077    0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352    1.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130    1.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870    3.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0544    0.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973    2.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716    2.3946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042    3.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0096   -0.3434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7923   -1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199   -1.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441   -2.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249   -1.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4027   -3.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4870   -1.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7284   -3.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042   -2.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
  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
  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,454)
1454

>  <Formula> (1,454)
C15H13N3O

>  <MolWeight> (1,454)
251.28322

>  <PCAT_CMPD_ID> (1,454)
WAY-359186

>  <CNC_ID> (1,454)
359446882

>  <transfer_container_id> (1,454)
PTN000000076

>  <COMPOUND_NUMBER> (1,454)
WAY-359186

>  <BAR_CODE_NO> (1,454)
2570415

>  <LOCATION_CODE> (1,454)
PTNCS

>  <AMOUNT_CURRENT> (1,454)
32.2

$$$$
WAY-359213
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6042   -4.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -6.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -4.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7417   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -6.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -3.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -3.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -2.0542    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  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  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  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  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  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 15  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 17  1  0  0  0  0
  4  5  1  0  0  0  0
 23 24  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,455)
1455

>  <Formula> (1,455)
C19H20N2O2S

>  <MolWeight> (1,455)
340.4393

>  <PCAT_CMPD_ID> (1,455)
WAY-359213

>  <CNC_ID> (1,455)
359446909

>  <transfer_container_id> (1,455)
PTN000000076

>  <COMPOUND_NUMBER> (1,455)
WAY-359213

>  <BAR_CODE_NO> (1,455)
2570438

>  <LOCATION_CODE> (1,455)
PTNCS

>  <AMOUNT_CURRENT> (1,455)
32.7

$$$$
WAY-359238
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0071    0.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239    0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071    0.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -0.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6239    0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4515   -0.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864    0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381    1.9342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864   -0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4826   -1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657    1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -0.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -0.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3554    0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3554   -0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929   -0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5239   -1.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826    0.5342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -1.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -0.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 20 21  1  0  0  0  0
  7  9  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,456)
1456

>  <Formula> (1,456)
C17H16N2O2

>  <MolWeight> (1,456)
280.32114

>  <PCAT_CMPD_ID> (1,456)
WAY-359238

>  <CNC_ID> (1,456)
359446931

>  <transfer_container_id> (1,456)
PTN000000076

>  <COMPOUND_NUMBER> (1,456)
WAY-359238

>  <BAR_CODE_NO> (1,456)
2570473

>  <LOCATION_CODE> (1,456)
PTNCS

>  <AMOUNT_CURRENT> (1,456)
32.4

$$$$
WAY-359356
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.2994    3.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6283    3.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509    2.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2994    5.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3096    1.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9633    3.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7763    1.5153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6476    3.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6283    6.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    0.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9633    5.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672    0.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975   -1.1485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975    1.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115   -2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1509   -2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0589   -3.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0589   -1.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5201   -3.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7342   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5201   -1.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6626   -4.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8827   -6.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3439   -5.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
 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
 20 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
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 21 23  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,457)
1457

>  <Formula> (1,457)
C20H17N3O3

>  <MolWeight> (1,457)
347.36728

>  <PCAT_CMPD_ID> (1,457)
WAY-359356

>  <CNC_ID> (1,457)
359447046

>  <transfer_container_id> (1,457)
PTN000000076

>  <COMPOUND_NUMBER> (1,457)
WAY-359356

>  <BAR_CODE_NO> (1,457)
2570607

>  <LOCATION_CODE> (1,457)
PTNCS

>  <AMOUNT_CURRENT> (1,457)
32.8

$$$$
WAY-359367
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.1875   -2.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -2.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -4.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -2.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -2.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -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 10  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  2  2  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  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  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 15  2  0  0  0  0
 20 19  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 20  1  0  0  0  0
 10 18  1  0  0  0  0
 16 14  2  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,458)
1458

>  <Formula> (1,458)
C17H20N2O3S2

>  <MolWeight> (1,458)
364.4823

>  <PCAT_CMPD_ID> (1,458)
WAY-359367

>  <CNC_ID> (1,458)
359447056

>  <transfer_container_id> (1,458)
PTN000000076

>  <COMPOUND_NUMBER> (1,458)
WAY-359367

>  <BAR_CODE_NO> (1,458)
2570616

>  <LOCATION_CODE> (1,458)
PTNCS

>  <AMOUNT_CURRENT> (1,458)
32.4

$$$$
WAY-359412
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6828   -0.0101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582    0.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848    0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9312    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348    0.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702   -0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9312   -0.7781    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848   -0.8771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298   -0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3578    0.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672   -0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218    0.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648    0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848    0.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002    0.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022    0.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1702   -0.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988   -0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672   -1.3511    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  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9 10  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 12  2  0  0  0  0
 11 15  2  0  0  0  0
 16  4  2  0  0  0  0
 17 13  2  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 22 19  1  0  0  0  0
  3  2  2  0  0  0  0
 15 14  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,459)
1459

>  <Formula> (1,459)
C15H15N3O3S

>  <MolWeight> (1,459)
317.3629

>  <PCAT_CMPD_ID> (1,459)
WAY-359412

>  <CNC_ID> (1,459)
359447101

>  <transfer_container_id> (1,459)
PTN000000076

>  <COMPOUND_NUMBER> (1,459)
WAY-359412

>  <BAR_CODE_NO> (1,459)
2570670

>  <LOCATION_CODE> (1,459)
PTNCS

>  <AMOUNT_CURRENT> (1,459)
32.4

$$$$
WAY-359614
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.5125   -8.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -9.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750   -7.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -6.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -8.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -8.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -7.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -7.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667  -10.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -6.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -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  1  1  0  0  0  0
  4  6  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  2  0  0  0  0
  9  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 15 20  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 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 25  2  0  0  0  0
 23 10  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 15 21  1  0  0  0  0
  6 13  2  0  0  0  0
 22 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,460)
1460

>  <Formula> (1,460)
C17H19N3O4S

>  <MolWeight> (1,460)
361.41546

>  <PCAT_CMPD_ID> (1,460)
WAY-359614

>  <CNC_ID> (1,460)
359447296

>  <transfer_container_id> (1,460)
PTN000000076

>  <COMPOUND_NUMBER> (1,460)
WAY-359614

>  <BAR_CODE_NO> (1,460)
2570888

>  <LOCATION_CODE> (1,460)
PTNCS

>  <AMOUNT_CURRENT> (1,460)
32.4

$$$$
WAY-359666
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1553    0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3105    0.2182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312    2.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2278    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5346   -0.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346    0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760    2.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588    2.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0760    1.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898   -1.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -0.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519    2.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243    3.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3860   -1.2853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2309   -2.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3171   -1.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9998   -3.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5447   -0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1619   -2.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6205   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2309   -2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4688   -0.9611    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
  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
 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
  9 12  2  0  0  0  0
 11 14  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,461)
1461

>  <Formula> (1,461)
C17H19N3O2

>  <MolWeight> (1,461)
297.35166

>  <PCAT_CMPD_ID> (1,461)
WAY-359666

>  <CNC_ID> (1,461)
359447348

>  <transfer_container_id> (1,461)
PTN000000076

>  <COMPOUND_NUMBER> (1,461)
WAY-359666

>  <BAR_CODE_NO> (1,461)
2570938

>  <LOCATION_CODE> (1,461)
PTNCS

>  <AMOUNT_CURRENT> (1,461)
32.4

$$$$
WAY-359679
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.8667   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -4.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -2.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -1.0042    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  6  2  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  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
  3  2  2  0  0  0  0
 23 17  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,462)
1462

>  <Formula> (1,462)
C19H20N2O2

>  <MolWeight> (1,462)
308.3743

>  <PCAT_CMPD_ID> (1,462)
WAY-359679

>  <CNC_ID> (1,462)
359447361

>  <transfer_container_id> (1,462)
PTN000000076

>  <COMPOUND_NUMBER> (1,462)
WAY-359679

>  <BAR_CODE_NO> (1,462)
2570945

>  <LOCATION_CODE> (1,462)
PTNCS

>  <AMOUNT_CURRENT> (1,462)
26.2

$$$$
WAY-359724
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.9292   -7.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   -7.7917    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
   10.6417   -7.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -6.6542    0.0000 O   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
    8.7167   -9.2167    0.0000 C   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
    9.9500   -8.4917    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
    7.0792   -9.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5417   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -4.9042    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
   11.1542   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -5.6375    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
   11.5625   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125   -9.9417    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  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7 17  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 21  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  1  0  0  0  0
 15 12  1  0  0  0  0
 16  3  1  0  0  0  0
 17 24  1  0  0  0  0
 18  6  2  0  0  0  0
 19 16  2  0  0  0  0
 20 28  1  0  0  0  0
 21 26  1  0  0  0  0
 22  2  1  0  0  0  0
 23  2  1  0  0  0  0
 24 25  1  0  0  0  0
 25 10  1  0  0  0  0
 26 24  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 14  1  0  0  0  0
 27 20  1  0  0  0  0
 14  4  2  0  0  0  0
 11  7  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,463)
1463

>  <Formula> (1,463)
C20H22N2O6S

>  <MolWeight> (1,463)
418.46348

>  <PCAT_CMPD_ID> (1,463)
WAY-359724

>  <CNC_ID> (1,463)
359447406

>  <transfer_container_id> (1,463)
PTN000000076

>  <COMPOUND_NUMBER> (1,463)
WAY-359724

>  <BAR_CODE_NO> (1,463)
2570999

>  <LOCATION_CODE> (1,463)
PTNCS

>  <AMOUNT_CURRENT> (1,463)
32.9

$$$$
WAY-359768
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.1042   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -2.1542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    4.1500    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  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  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  2  0  0  0  0
 14  4  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 14  1  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 19  1  0  0  0  0
 24 13  1  0  0  0  0
 25 17  2  0  0  0  0
 26 25  1  0  0  0  0
  7  5  1  0  0  0  0
 21 20  2  0  0  0  0
 23 13  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,464)
1464

>  <Formula> (1,464)
C20H16ClFN2O2

>  <MolWeight> (1,464)
370.8046432

>  <PCAT_CMPD_ID> (1,464)
WAY-359768

>  <CNC_ID> (1,464)
359447450

>  <transfer_container_id> (1,464)
PTN000000076

>  <COMPOUND_NUMBER> (1,464)
WAY-359768

>  <BAR_CODE_NO> (1,464)
2571032

>  <LOCATION_CODE> (1,464)
PTNCS

>  <AMOUNT_CURRENT> (1,464)
33

$$$$
WAY-359769
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.7660   -0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3243    0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5090    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9285   -4.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243   -3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9632    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5882    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1118   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632    2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2382    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0382    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3132    3.3167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243   -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  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  9  3  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 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 19  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,465)
1465

>  <Formula> (1,465)
C13H11ClN4O

>  <MolWeight> (1,465)
274.70564

>  <PCAT_CMPD_ID> (1,465)
WAY-359769

>  <CNC_ID> (1,465)
359447451

>  <transfer_container_id> (1,465)
PTN000000076

>  <COMPOUND_NUMBER> (1,465)
WAY-359769

>  <BAR_CODE_NO> (1,465)
2571033

>  <LOCATION_CODE> (1,465)
PTNCS

>  <AMOUNT_CURRENT> (1,465)
33

$$$$
WAY-359779
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.5667   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -4.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -5.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -4.9750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -7.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -1.2875    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  6  2  0  0  0  0
  6 10  1  0  0  0  0
  7 14  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  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18  5  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  2  1  0  0  0  0
 22  9  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 13  9  1  0  0  0  0
 24 22  2  0  0  0  0
 17  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,466)
1466

>  <Formula> (1,466)
C18H15Cl2NO3

>  <MolWeight> (1,466)
364.2226

>  <PCAT_CMPD_ID> (1,466)
WAY-359779

>  <CNC_ID> (1,466)
359447461

>  <transfer_container_id> (1,466)
PTN000000076

>  <COMPOUND_NUMBER> (1,466)
WAY-359779

>  <BAR_CODE_NO> (1,466)
2571063

>  <LOCATION_CODE> (1,466)
PTNCS

>  <AMOUNT_CURRENT> (1,466)
32.4

$$$$
WAY-380035
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.9056   -2.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764   -2.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0486    4.2329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6236    3.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486   -0.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139   -2.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306   -1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444   -1.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556    0.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3569   -2.9171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556   -1.5296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736   -0.0671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681   -0.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3611    1.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3736    2.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111    2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0514    2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306   -2.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -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  4  3  0  0  0  0
  4 14  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  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  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  9  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 11  1  0  0  0  0
 20 21  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,467)
1467

>  <Formula> (1,467)
C14H12N2O5

>  <MolWeight> (1,467)
288.25548

>  <PCAT_CMPD_ID> (1,467)
WAY-380035

>  <CNC_ID> (1,467)
359447716

>  <transfer_container_id> (1,467)
PTN000000076

>  <COMPOUND_NUMBER> (1,467)
WAY-380035

>  <BAR_CODE_NO> (1,467)
2571305

>  <LOCATION_CODE> (1,467)
PTNCS

>  <AMOUNT_CURRENT> (1,467)
32.9

$$$$
WAY-380092-A
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.1375   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.1042    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
  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  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12 18  2  0  0  0  0
 13 17  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  2  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 14  1  0  0  0  0
 22 14  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 21  2  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
  5  4  1  0  0  0  0
  9 13  2  0  0  0  0
 27 24  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,468)
1468

>  <Formula> (1,468)
C23H18N2O2S

>  <MolWeight> (1,468)
386.46622

>  <PCAT_CMPD_ID> (1,468)
WAY-380092-A

>  <CNC_ID> (1,468)
359447772

>  <transfer_container_id> (1,468)
PTN000000076

>  <COMPOUND_NUMBER> (1,468)
WAY-380092-A

>  <BAR_CODE_NO> (1,468)
2571386

>  <LOCATION_CODE> (1,468)
PTNCS

>  <AMOUNT_CURRENT> (1,468)
32.7

$$$$
WAY-380360
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.0500   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125   -4.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -3.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9667   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -2.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -4.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -4.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   -3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -6.9375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -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  3  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  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 11  1  0  0  0  0
 13  4  2  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  8  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 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 12  2  0  0  0  0
 26 11  2  0  0  0  0
 27 24  1  0  0  0  0
 28 29  2  0  0  0  0
 29 26  1  0  0  0  0
  7 12  1  0  0  0  0
 20 18  1  0  0  0  0
 28 25  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,469)
1469

>  <Formula> (1,469)
C22H25FN2O3S

>  <MolWeight> (1,469)
416.5089032

>  <PCAT_CMPD_ID> (1,469)
WAY-380360

>  <CNC_ID> (1,469)
359448038

>  <transfer_container_id> (1,469)
PTN000000076

>  <COMPOUND_NUMBER> (1,469)
WAY-380360

>  <BAR_CODE_NO> (1,469)
2571668

>  <LOCATION_CODE> (1,469)
PTNCS

>  <AMOUNT_CURRENT> (1,469)
32.7

$$$$
WAY-380365
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5042   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -4.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -4.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -5.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.5917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -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  2  0  0  0  0
  5  1  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  4  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 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15 10  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 10  1  0  0  0  0
 20 18  2  0  0  0  0
 21  9  1  0  0  0  0
 22 20  1  0  0  0  0
  9  3  2  0  0  0  0
 13 15  2  0  0  0  0
 16 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,470)
1470

>  <Formula> (1,470)
C16H14ClN3OS

>  <MolWeight> (1,470)
331.81986

>  <PCAT_CMPD_ID> (1,470)
WAY-380365

>  <CNC_ID> (1,470)
359448043

>  <transfer_container_id> (1,470)
PTN000000076

>  <COMPOUND_NUMBER> (1,470)
WAY-380365

>  <BAR_CODE_NO> (1,470)
2571665

>  <LOCATION_CODE> (1,470)
PTNCS

>  <AMOUNT_CURRENT> (1,470)
32.7

$$$$
WAY-380388
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.2667   -4.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -5.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -5.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -5.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -4.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -6.2667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292   -7.7750    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  7  2  0  0  0  0
  7 13  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  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  2  1  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 15  1  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
  7 14  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,471)
1471

>  <Formula> (1,471)
C15H18FN3O3

>  <MolWeight> (1,471)
307.3201232

>  <PCAT_CMPD_ID> (1,471)
WAY-380388

>  <CNC_ID> (1,471)
359448066

>  <transfer_container_id> (1,471)
PTN000000076

>  <COMPOUND_NUMBER> (1,471)
WAY-380388

>  <BAR_CODE_NO> (1,471)
2571686

>  <LOCATION_CODE> (1,471)
PTNCS

>  <AMOUNT_CURRENT> (1,471)
32.2

$$$$
WAY-380399
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2200    0.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200    0.8769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800    0.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800    0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800    0.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200    0.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800    1.5769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200   -0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200   -1.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200   -0.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200   -0.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200   -1.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2200   -1.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200   -1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200   -1.9231    0.0000 C   0  0  0  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  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11 15  2  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  6  2  0  0  0  0
 17 11  1  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
  3  5  1  0  0  0  0
 14 11  1  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,472)
1472

>  <Formula> (1,472)
C16H14N2OS

>  <MolWeight> (1,472)
282.36016

>  <PCAT_CMPD_ID> (1,472)
WAY-380399

>  <CNC_ID> (1,472)
359448077

>  <transfer_container_id> (1,472)
PTN000000076

>  <COMPOUND_NUMBER> (1,472)
WAY-380399

>  <BAR_CODE_NO> (1,472)
2571706

>  <LOCATION_CODE> (1,472)
PTNCS

>  <AMOUNT_CURRENT> (1,472)
32.2

$$$$
WAY-380524
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.4750   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -1.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -1.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2542   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.5625    0.0000 C   0  0  0  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 10  2  0  0  0  0
  9  6  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  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  1  0  0  0  0
 16 14  2  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  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
  4  5  1  0  0  0  0
 21 20  2  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,473)
1473

>  <Formula> (1,473)
C16H13NO3S

>  <MolWeight> (1,473)
299.34432

>  <PCAT_CMPD_ID> (1,473)
WAY-380524

>  <CNC_ID> (1,473)
359448201

>  <transfer_container_id> (1,473)
PTN000000076

>  <COMPOUND_NUMBER> (1,473)
WAY-380524

>  <BAR_CODE_NO> (1,473)
2571205

>  <LOCATION_CODE> (1,473)
PTNCS

>  <AMOUNT_CURRENT> (1,473)
32.9

$$$$
WAY-380929
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.4042    1.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -1.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -2.2875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.7000    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 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  8  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  7  1  0  0  0  0
 12 17  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  2  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 15  2  0  0  0  0
 18 24  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 13  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 27  2  0  0  0  0
 27 14  1  0  0  0  0
 28 13  2  0  0  0  0
 29 23  1  0  0  0  0
 18 25  1  0  0  0  0
 12  5  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,474)
1474

>  <Formula> (1,474)
C19H20Cl2N2O5S

>  <MolWeight> (1,474)
459.3435

>  <PCAT_CMPD_ID> (1,474)
WAY-380929

>  <CNC_ID> (1,474)
359448600

>  <transfer_container_id> (1,474)
PTN000000076

>  <COMPOUND_NUMBER> (1,474)
WAY-380929

>  <BAR_CODE_NO> (1,474)
2568459

>  <LOCATION_CODE> (1,474)
PTNCS

>  <AMOUNT_CURRENT> (1,474)
32.3

$$$$
WAY-381354
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.1292   -6.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -8.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -8.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -7.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -7.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -9.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -9.0167    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  5  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  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  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  9  1  0  0  0  0
 16 12  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 17  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
 19 22  2  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,475)
1475

>  <Formula> (1,475)
C16H21N5OS

>  <MolWeight> (1,475)
331.43584

>  <PCAT_CMPD_ID> (1,475)
WAY-381354

>  <CNC_ID> (1,475)
359449029

>  <transfer_container_id> (1,475)
PTN000000076

>  <COMPOUND_NUMBER> (1,475)
WAY-381354

>  <BAR_CODE_NO> (1,475)
2571822

>  <LOCATION_CODE> (1,475)
PTNCS

>  <AMOUNT_CURRENT> (1,475)
32.5

$$$$
WAY-381386
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.0042   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -3.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -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  2  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  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  6  2  0  0  0  0
 12 16  1  0  0  0  0
 13  6  1  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
  5  8  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,476)
1476

>  <Formula> (1,476)
C10H14N4O2S

>  <MolWeight> (1,476)
254.30876

>  <PCAT_CMPD_ID> (1,476)
WAY-381386

>  <CNC_ID> (1,476)
359449060

>  <transfer_container_id> (1,476)
PTN000000076

>  <COMPOUND_NUMBER> (1,476)
WAY-381386

>  <BAR_CODE_NO> (1,476)
2571848

>  <LOCATION_CODE> (1,476)
PTNCS

>  <AMOUNT_CURRENT> (1,476)
33

$$$$
WAY-381391
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.0042   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -3.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -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  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  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  6  2  0  0  0  0
 12 16  1  0  0  0  0
 13  6  1  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 13  1  0  0  0  0
 19 18  1  0  0  0  0
  5  8  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,477)
1477

>  <Formula> (1,477)
C12H17N3O3S

>  <MolWeight> (1,477)
283.34668

>  <PCAT_CMPD_ID> (1,477)
WAY-381391

>  <CNC_ID> (1,477)
359449065

>  <transfer_container_id> (1,477)
PTN000000076

>  <COMPOUND_NUMBER> (1,477)
WAY-381391

>  <BAR_CODE_NO> (1,477)
2571856

>  <LOCATION_CODE> (1,477)
PTNCS

>  <AMOUNT_CURRENT> (1,477)
32.5

$$$$
WAY-381442
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5176   -1.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5797   -1.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6935   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1659   -0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4832   -0.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030   -1.5418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6452   -0.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065   -0.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4556    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9418    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -0.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0832    1.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3927   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548   -2.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9107    2.0203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5617   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    1.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5487    3.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3651    0.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962    1.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
 15 18  1  0  0  0  0
 16 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
 22 24  1  0  0  0  0
  5  7  2  0  0  0  0
 13 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,478)
1478

>  <Formula> (1,478)
C18H16N2O3S

>  <MolWeight> (1,478)
340.39624

>  <PCAT_CMPD_ID> (1,478)
WAY-381442

>  <CNC_ID> (1,478)
359449116

>  <transfer_container_id> (1,478)
PTN000000076

>  <COMPOUND_NUMBER> (1,478)
WAY-381442

>  <BAR_CODE_NO> (1,478)
2571943

>  <LOCATION_CODE> (1,478)
PTNCS

>  <AMOUNT_CURRENT> (1,478)
30.18

$$$$
WAY-381448
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0417   -5.3125    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
    5.3292   -5.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -5.7292    0.0000 S   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
    5.3292   -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
    5.3250   -3.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6167   -6.9667    0.0000 C   0  0  0  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
    3.9042   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -7.7917    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
    3.9042   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -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  1  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  5  1  0  0  0  0
  9  6  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  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
 11  8  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,479)
1479

>  <Formula> (1,479)
C14H20N2S

>  <MolWeight> (1,479)
248.387

>  <PCAT_CMPD_ID> (1,479)
WAY-381448

>  <CNC_ID> (1,479)
359449121

>  <transfer_container_id> (1,479)
PTN000000076

>  <COMPOUND_NUMBER> (1,479)
WAY-381448

>  <BAR_CODE_NO> (1,479)
2571936

>  <LOCATION_CODE> (1,479)
PTNCS

>  <AMOUNT_CURRENT> (1,479)
32.7

$$$$
WAY-381453
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.4238   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928   -1.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4031    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962   -0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376   -1.9086    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279   -0.5741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169    1.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1893    1.1570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3762    1.0328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100    1.0570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3210    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2693    0.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3107   -0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2072    0.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2383   -1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1865   -0.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  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
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,480)
1480

>  <Formula> (1,480)
C14H18Cl2N2S

>  <MolWeight> (1,480)
317.27712

>  <PCAT_CMPD_ID> (1,480)
WAY-381453

>  <CNC_ID> (1,480)
359449126

>  <transfer_container_id> (1,480)
PTN000000076

>  <COMPOUND_NUMBER> (1,480)
WAY-381453

>  <BAR_CODE_NO> (1,480)
2571935

>  <LOCATION_CODE> (1,480)
PTNCS

>  <AMOUNT_CURRENT> (1,480)
32.7

$$$$
WAY-381474
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.0667    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -2.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -2.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917    2.7208    0.0000 C   0  0  0  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  9  1  0  0  0  0
  8  7  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  2  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15  8  1  0  0  0  0
 16  1  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  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 17  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
 26 21  1  0  0  0  0
 26 22  1  0  0  0  0
  6  3  2  0  0  0  0
  9 14  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,481)
1481

>  <Formula> (1,481)
C21H21N3O2

>  <MolWeight> (1,481)
347.41034

>  <PCAT_CMPD_ID> (1,481)
WAY-381474

>  <CNC_ID> (1,481)
359449146

>  <transfer_container_id> (1,481)
PTN000000076

>  <COMPOUND_NUMBER> (1,481)
WAY-381474

>  <BAR_CODE_NO> (1,481)
2571983

>  <LOCATION_CODE> (1,481)
PTNCS

>  <AMOUNT_CURRENT> (1,481)
32.8

$$$$
WAY-381488
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.5549   -0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8273   -1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -1.1659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    0.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    0.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1169   -0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411   -1.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790   -0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1169    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    1.3168    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4169   -1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3037   -0.7452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210   -1.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072    0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7348   -0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7348    0.0789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727    0.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    1.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727    1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5831    1.7341    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
  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
 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 10  1  0  0  0  0
  9 12  1  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,482)
1482

>  <Formula> (1,482)
C20H19ClFN3O

>  <MolWeight> (1,482)
371.8357632

>  <PCAT_CMPD_ID> (1,482)
WAY-381488

>  <CNC_ID> (1,482)
359449159

>  <transfer_container_id> (1,482)
PTN000000076

>  <COMPOUND_NUMBER> (1,482)
WAY-381488

>  <BAR_CODE_NO> (1,482)
2571898

>  <LOCATION_CODE> (1,482)
PTNCS

>  <AMOUNT_CURRENT> (1,482)
32.5

$$$$
WAY-381490
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.6928   -0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489   -0.8531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1511   -1.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7072   -0.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1344   -0.0531    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489   -0.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0989    0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7072    1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6156    1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719   -1.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344   -0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719   -0.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156   -0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2656    2.3428    0.0000 C   0  0  0  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  4  2  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  3  1  0  0  0  0
 12 13  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
 12 11  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,483)
1483

>  <Formula> (1,483)
C12H16N2S

>  <MolWeight> (1,483)
220.33384

>  <PCAT_CMPD_ID> (1,483)
WAY-381490

>  <CNC_ID> (1,483)
359449161

>  <transfer_container_id> (1,483)
PTN000000076

>  <COMPOUND_NUMBER> (1,483)
WAY-381490

>  <BAR_CODE_NO> (1,483)
2571900

>  <LOCATION_CODE> (1,483)
PTNCS

>  <AMOUNT_CURRENT> (1,483)
32.2

$$$$
WAY-381493
csChFnd80/11182011152D

 15 17  0  0  0  0  0  0  0  0999 V2000
    5.9167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -4.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -4.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -3.6625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -4.0542    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  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  3  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  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
  9  7  1  0  0  0  0
  6 10  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,484)
1484

>  <Formula> (1,484)
C11H6BrNS2

>  <MolWeight> (1,484)
296.20604

>  <PCAT_CMPD_ID> (1,484)
WAY-381493

>  <CNC_ID> (1,484)
359449164

>  <transfer_container_id> (1,484)
PTN000000076

>  <COMPOUND_NUMBER> (1,484)
WAY-381493

>  <BAR_CODE_NO> (1,484)
2571913

>  <LOCATION_CODE> (1,484)
PTNCS

>  <AMOUNT_CURRENT> (1,484)
32.1

$$$$
WAY-381645
csChFnd80/11182011152D

 22 23  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
    3.5792   -5.7125    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
    2.3292   -3.5667    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
    3.1625   -4.9917    0.0000 O   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
    3.5667   -4.2792    0.0000 C   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
    3.1417   -2.1417    0.0000 C   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
    3.5500   -1.4167    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
    3.1292   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.4250    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  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  8  1  0  0  0  0
  7  9  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 17  2  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 10  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 13  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
 20 22  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,485)
1485

>  <Formula> (1,485)
C16H20ClNO4

>  <MolWeight> (1,485)
325.7873

>  <PCAT_CMPD_ID> (1,485)
WAY-381645

>  <CNC_ID> (1,485)
359449313

>  <transfer_container_id> (1,485)
PTN000000076

>  <COMPOUND_NUMBER> (1,485)
WAY-381645

>  <BAR_CODE_NO> (1,485)
2572095

>  <LOCATION_CODE> (1,485)
PTNCS

>  <AMOUNT_CURRENT> (1,485)
32.6

$$$$
WAY-381805
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.0042   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4250   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -4.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -3.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -0.3667    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  2  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  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 10  1  0  0  0  0
 19 17  1  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
 23 13  1  0  0  0  0
 24 21  1  0  0  0  0
 11  9  2  0  0  0  0
  4  3  1  0  0  0  0
 14  7  1  0  0  0  0
 17 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,486)
1486

>  <Formula> (1,486)
C19H21N3O2

>  <MolWeight> (1,486)
323.38894

>  <PCAT_CMPD_ID> (1,486)
WAY-381805

>  <CNC_ID> (1,486)
359449469

>  <transfer_container_id> (1,486)
PTN000000076

>  <COMPOUND_NUMBER> (1,486)
WAY-381805

>  <BAR_CODE_NO> (1,486)
2572204

>  <LOCATION_CODE> (1,486)
PTNCS

>  <AMOUNT_CURRENT> (1,486)
32.8

$$$$
WAY-381809-A
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.6625   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -9.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -7.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -7.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -9.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -9.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -8.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4125  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667  -10.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -5.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792  -11.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292  -11.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167  -11.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292  -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  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  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  2  2  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  7  2  0  0  0  0
 14 19  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 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
  5  6  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,487)
1487

>  <Formula> (1,487)
C14H18ClN3O2S2

>  <MolWeight> (1,487)
359.89462

>  <PCAT_CMPD_ID> (1,487)
WAY-381809-A

>  <CNC_ID> (1,487)
359449472

>  <transfer_container_id> (1,487)
PTN000000076

>  <COMPOUND_NUMBER> (1,487)
WAY-381809-A

>  <BAR_CODE_NO> (1,487)
2572232

>  <LOCATION_CODE> (1,487)
PTNCS

>  <AMOUNT_CURRENT> (1,487)
32.5

$$$$
WAY-381834
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.2867   -0.2531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160   -2.6651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.0454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5182   -1.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2576    0.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3653    1.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2904    0.4568    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2591   -3.0289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278    1.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063    1.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7951    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5798   -0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5297   -0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7284   -2.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8957   -1.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5057    2.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1172   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0096   -1.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3992    1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0332    2.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6529    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0189    2.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1457    3.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5470   -0.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8692   -2.2643    0.0000 C   0  0  0  0  0  0  0  0  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 16  1  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  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 11  2  0  0  0  0
 20 21  1  0  0  0  0
 21 14  2  0  0  0  0
 27 20  1  0  0  0  0
 22 12  2  0  0  0  0
 23 12  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
 26 25  2  0  0  0  0
 17 18  2  0  0  0  0
 20 13  2  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
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,488)
1488

>  <Formula> (1,488)
C21H17N3O2S2

>  <MolWeight> (1,488)
407.50858

>  <PCAT_CMPD_ID> (1,488)
WAY-381834

>  <CNC_ID> (1,488)
359449496

>  <transfer_container_id> (1,488)
PTN000000076

>  <COMPOUND_NUMBER> (1,488)
WAY-381834

>  <BAR_CODE_NO> (1,488)
2572263

>  <LOCATION_CODE> (1,488)
PTNCS

>  <AMOUNT_CURRENT> (1,488)
32.6

$$$$
WAY-381862
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.4042   -3.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -3.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -2.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -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  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  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 10  3  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  2  0  0  0  0
 17  3  1  0  0  0  0
 18 11  2  0  0  0  0
 19 18  1  0  0  0  0
 20 11  1  0  0  0  0
 21  3  1  0  0  0  0
 22 13  2  0  0  0  0
 23 12  2  0  0  0  0
 24 17  1  0  0  0  0
 25 17  2  0  0  0  0
 26 21  1  0  0  0  0
 27 28  2  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 29  2  0  0  0  0
 19 15  2  0  0  0  0
 30 31  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,489)
1489

>  <Formula> (1,489)
C22H19ClN4O3S

>  <MolWeight> (1,489)
454.92926

>  <PCAT_CMPD_ID> (1,489)
WAY-381862

>  <CNC_ID> (1,489)
359449521

>  <transfer_container_id> (1,489)
PTN000000076

>  <COMPOUND_NUMBER> (1,489)
WAY-381862

>  <BAR_CODE_NO> (1,489)
2572293

>  <LOCATION_CODE> (1,489)
PTNCS

>  <AMOUNT_CURRENT> (1,489)
32.9

$$$$
WAY-381888
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8667   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -1.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -0.5167    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
    2.7125   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -3.2750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -2.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.3458    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  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 18  2  0  0  0  0
 10 17  1  0  0  0  0
 11  9  1  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  5  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  6  2  0  0  0  0
 20  3  1  0  0  0  0
 21 12  2  0  0  0  0
 22 11  2  0  0  0  0
 23 12  1  0  0  0  0
 24 11  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
  4  2  2  0  0  0  0
 16  8  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,490)
1490

>  <Formula> (1,490)
C16H12ClN3O5S

>  <MolWeight> (1,490)
393.80158

>  <PCAT_CMPD_ID> (1,490)
WAY-381888

>  <CNC_ID> (1,490)
359449546

>  <transfer_container_id> (1,490)
PTN000000076

>  <COMPOUND_NUMBER> (1,490)
WAY-381888

>  <BAR_CODE_NO> (1,490)
2572332

>  <LOCATION_CODE> (1,490)
PTNCS

>  <AMOUNT_CURRENT> (1,490)
32.8

$$$$
WAY-381945
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    4.3750   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -7.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -8.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -8.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -7.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -8.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -5.4042    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  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  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 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23  2  1  0  0  0  0
 24  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26  5  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 23  2  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 33  1  1  0  0  0  0
  4  5  1  0  0  0  0
  8 18  1  0  0  0  0
 31 26  2  0  0  0  0
 25 32  2  0  0  0  0
 10  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,491)
1491

>  <Formula> (1,491)
C26H27N3O3

>  <MolWeight> (1,491)
429.51088

>  <PCAT_CMPD_ID> (1,491)
WAY-381945

>  <CNC_ID> (1,491)
359449600

>  <transfer_container_id> (1,491)
PTN000000076

>  <COMPOUND_NUMBER> (1,491)
WAY-381945

>  <BAR_CODE_NO> (1,491)
2572346

>  <LOCATION_CODE> (1,491)
PTNCS

>  <AMOUNT_CURRENT> (1,491)
32.2

$$$$
WAY-381954
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.5542    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    2.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.4833    0.0000 C   0  0  0  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
   -1.0125    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    0.9208    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
  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 10  1  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 19  1  0  0  0  0
 14  8  2  0  0  0  0
 15 12  2  0  0  0  0
 16 14  1  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 16  1  0  0  0  0
  6  5  2  0  0  0  0
 15 14  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,492)
1492

>  <Formula> (1,492)
C14H17N3O3S

>  <MolWeight> (1,492)
307.36808

>  <PCAT_CMPD_ID> (1,492)
WAY-381954

>  <CNC_ID> (1,492)
359449609

>  <transfer_container_id> (1,492)
PTN000000076

>  <COMPOUND_NUMBER> (1,492)
WAY-381954

>  <BAR_CODE_NO> (1,492)
2572392

>  <LOCATION_CODE> (1,492)
PTNCS

>  <AMOUNT_CURRENT> (1,492)
32.3

$$$$
WAY-381965
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.2042   -4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -5.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -5.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.2917    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
   10.3792   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -3.7125    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 24  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
 17 13  1  0  0  0  0
 23 28  2  0  0  0  0
  6  2  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,493)
1493

>  <Formula> (1,493)
C23H23NO4

>  <MolWeight> (1,493)
377.43302

>  <PCAT_CMPD_ID> (1,493)
WAY-381965

>  <CNC_ID> (1,493)
359449621

>  <transfer_container_id> (1,493)
PTN000000076

>  <COMPOUND_NUMBER> (1,493)
WAY-381965

>  <BAR_CODE_NO> (1,493)
2572388

>  <LOCATION_CODE> (1,493)
PTNCS

>  <AMOUNT_CURRENT> (1,493)
32.5

$$$$
WAY-381996
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.3500   -2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -2.5292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -0.3792    0.0000 C   0  0  0  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
    2.2792   -0.3792    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 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  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
 20 21  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,494)
1494

>  <Formula> (1,494)
C17H17BrN2O

>  <MolWeight> (1,494)
345.23368

>  <PCAT_CMPD_ID> (1,494)
WAY-381996

>  <CNC_ID> (1,494)
359449652

>  <transfer_container_id> (1,494)
PTN000000076

>  <COMPOUND_NUMBER> (1,494)
WAY-381996

>  <BAR_CODE_NO> (1,494)
2572448

>  <LOCATION_CODE> (1,494)
PTNCS

>  <AMOUNT_CURRENT> (1,494)
32.9

$$$$
WAY-382014
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.6292   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -1.8292    0.0000 C   0  0  3  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
    4.6292   -1.1167    0.0000 C   0  0  3  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
    3.4042   -3.2667    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
    4.2292   -4.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -0.4000    0.0000 C   0  0  3  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
    4.6417   -3.9750    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
    3.3875   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    0.3333    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
    5.4917   -6.8375    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  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  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  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 14  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 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 16  9  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,495)
1495

>  <Formula> (1,495)
C18H25NO3

>  <MolWeight> (1,495)
303.396

>  <PCAT_CMPD_ID> (1,495)
WAY-382014

>  <CNC_ID> (1,495)
359449670

>  <transfer_container_id> (1,495)
PTN000000076

>  <COMPOUND_NUMBER> (1,495)
WAY-382014

>  <BAR_CODE_NO> (1,495)
2572420

>  <LOCATION_CODE> (1,495)
PTNCS

>  <AMOUNT_CURRENT> (1,495)
32.7

$$$$
WAY-382028
csChFnd80/11182011152D

 30 33  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
    2.1500   -1.5917    0.0000 S   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
    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
    6.2625   -1.5917    0.0000 N   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
    8.7292   -3.0125    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
    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
    0.0917   -0.8792    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
    8.3125   -3.7292    0.0000 Br  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
    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
    8.7292   -1.5917    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
    9.5542   -3.0125    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
    9.5542   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -2.3000    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 12  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  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  5  2  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  2  2  0  0  0  0
 16 17  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 24  1  0  0  0  0
 22  7  2  0  0  0  0
 23  5  1  0  0  0  0
 24  8  2  0  0  0  0
 25 21  2  0  0  0  0
 26 11  1  0  0  0  0
 27 15  1  0  0  0  0
 28 27  2  0  0  0  0
 29 23  2  0  0  0  0
 30 29  1  0  0  0  0
 17 20  2  0  0  0  0
 30 26  2  0  0  0  0
 25 15  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,496)
1496

>  <Formula> (1,496)
C24H18BrN3OS

>  <MolWeight> (1,496)
476.38822

>  <PCAT_CMPD_ID> (1,496)
WAY-382028

>  <CNC_ID> (1,496)
359449683

>  <transfer_container_id> (1,496)
PTN000000076

>  <COMPOUND_NUMBER> (1,496)
WAY-382028

>  <BAR_CODE_NO> (1,496)
2572409

>  <LOCATION_CODE> (1,496)
PTNCS

>  <AMOUNT_CURRENT> (1,496)
32.4

$$$$
WAY-382369
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.3417   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -4.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.7333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.1250   -5.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -9.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0500   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -11.1125    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
   14.9667  -11.1542    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  2  2  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  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 16  1  0  0  0  0
 14  2  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 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 21  2  0  0  0  0
 17 10  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,497)
1497

>  <Formula> (1,497)
C17H16BrNO3

>  <MolWeight> (1,497)
362.21784

>  <PCAT_CMPD_ID> (1,497)
WAY-382369

>  <CNC_ID> (1,497)
359450016

>  <transfer_container_id> (1,497)
PTN000000076

>  <COMPOUND_NUMBER> (1,497)
WAY-382369

>  <BAR_CODE_NO> (1,497)
2572716

>  <LOCATION_CODE> (1,497)
PTNCS

>  <AMOUNT_CURRENT> (1,497)
32.9

$$$$
WAY-382398
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -7.1250   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   -2.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417  -10.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3167   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9792   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1250   -8.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8417   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -6.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417  -10.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917  -12.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292  -13.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000  -14.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417  -15.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375  -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 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
  8 10  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,498)
1498

>  <Formula> (1,498)
C14H13NO3S

>  <MolWeight> (1,498)
275.32292

>  <PCAT_CMPD_ID> (1,498)
WAY-382398

>  <CNC_ID> (1,498)
359450045

>  <transfer_container_id> (1,498)
PTN000000076

>  <COMPOUND_NUMBER> (1,498)
WAY-382398

>  <BAR_CODE_NO> (1,498)
2572791

>  <LOCATION_CODE> (1,498)
PTNCS

>  <AMOUNT_CURRENT> (1,498)
32.4

$$$$
WAY-382047
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8417   -6.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -6.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -7.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -4.2500    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 13  1  0  0  0  0
  9  2  2  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  4  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  2  0  0  0  0
 17  5  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  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
  5  8  2  0  0  0  0
 21 22  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,499)
1499

>  <Formula> (1,499)
C19H22N2O

>  <MolWeight> (1,499)
294.39078

>  <PCAT_CMPD_ID> (1,499)
WAY-382047

>  <CNC_ID> (1,499)
359449702

>  <transfer_container_id> (1,499)
PTN000000076

>  <COMPOUND_NUMBER> (1,499)
WAY-382047

>  <BAR_CODE_NO> (1,499)
2572493

>  <LOCATION_CODE> (1,499)
PTNCS

>  <AMOUNT_CURRENT> (1,499)
32.4

$$$$
WAY-382303-A
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.9750   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -7.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -7.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -7.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -5.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -4.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -9.5750    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  6  2  0  0  0  0
  6  9  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  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18  2  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 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
  4  8  2  0  0  0  0
 11  7  2  0  0  0  0
 25 26  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,500)
1500

>  <Formula> (1,500)
C19H22N4O2S

>  <MolWeight> (1,500)
370.46858

>  <PCAT_CMPD_ID> (1,500)
WAY-382303-A

>  <CNC_ID> (1,500)
359449950

>  <transfer_container_id> (1,500)
PTN000000076

>  <COMPOUND_NUMBER> (1,500)
WAY-382303-A

>  <BAR_CODE_NO> (1,500)
2572904

>  <LOCATION_CODE> (1,500)
PTNCS

>  <AMOUNT_CURRENT> (1,500)
32.8

$$$$
WAY-382326
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.5792   -3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -3.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -4.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -3.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -4.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -0.7917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -4.9542    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  2  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  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  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 12  1  0  0  0  0
 10 11  2  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,501)
1501

>  <Formula> (1,501)
C12H11FN2O2S3

>  <MolWeight> (1,501)
330.4213432

>  <PCAT_CMPD_ID> (1,501)
WAY-382326

>  <CNC_ID> (1,501)
359449973

>  <transfer_container_id> (1,501)
PTN000000076

>  <COMPOUND_NUMBER> (1,501)
WAY-382326

>  <BAR_CODE_NO> (1,501)
2572978

>  <LOCATION_CODE> (1,501)
PTNCS

>  <AMOUNT_CURRENT> (1,501)
32.6

$$$$
WAY-382465
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   11.5875  -12.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375   -5.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667  -13.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042  -11.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542  -14.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    5.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625   -7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7417  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7667   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2792  -12.7625    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
   15.7042   -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  4  1  0  0  0  0
  4  2  2  0  0  0  0
  5 16  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 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  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  5  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  7  1  0  0  0  0
 28  7  1  0  0  0  0
 29 19  1  0  0  0  0
 19  3  2  0  0  0  0
  9 14  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,502)
1502

>  <Formula> (1,502)
C19H20N2O7S

>  <MolWeight> (1,502)
420.4363

>  <PCAT_CMPD_ID> (1,502)
WAY-382465

>  <CNC_ID> (1,502)
359450109

>  <transfer_container_id> (1,502)
PTN000000076

>  <COMPOUND_NUMBER> (1,502)
WAY-382465

>  <BAR_CODE_NO> (1,502)
2572886

>  <LOCATION_CODE> (1,502)
PTNCS

>  <AMOUNT_CURRENT> (1,502)
32.9

$$$$
WAY-382468
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.2667  -10.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042  -10.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292  -11.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5042  -11.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292  -14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375  -12.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250  -14.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417  -13.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250  -13.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375  -12.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542  -13.5625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2167  -16.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.6375  -15.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -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  2  2  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  4  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  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  9  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 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
  5  3  1  0  0  0  0
  6  8  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,503)
1503

>  <Formula> (1,503)
C14H10Br2N2O2

>  <MolWeight> (1,503)
398.0494

>  <PCAT_CMPD_ID> (1,503)
WAY-382468

>  <CNC_ID> (1,503)
359450112

>  <transfer_container_id> (1,503)
PTN000000076

>  <COMPOUND_NUMBER> (1,503)
WAY-382468

>  <BAR_CODE_NO> (1,503)
2572863

>  <LOCATION_CODE> (1,503)
PTNCS

>  <AMOUNT_CURRENT> (1,503)
32

$$$$
WAY-313101
csChFnd80/11182011152D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.1218   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1218   -1.6347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782    0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7149   -0.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    2.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218   -2.3726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7149   -1.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782    0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0149   -2.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0472   -0.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782    2.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3575    0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3575    2.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,504)
1504

>  <Formula> (1,504)
C8H11N3O4

>  <MolWeight> (1,504)
213.19064

>  <PCAT_CMPD_ID> (1,504)
WAY-313101

>  <CNC_ID> (1,504)
359328137

>  <transfer_container_id> (1,504)
PTN000000067

>  <COMPOUND_NUMBER> (1,504)
WAY-313101

>  <BAR_CODE_NO> (1,504)
3917896

>  <LOCATION_CODE> (1,504)
PTNCS

>  <AMOUNT_CURRENT> (1,504)
33.2

$$$$
WAY-311644
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.0483   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759    0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    1.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -0.9793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -1.7379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6345    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    1.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103   -1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7276    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -1.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -0.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483   -0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724    2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034   -1.6172    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  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
 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  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
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,505)
1505

>  <Formula> (1,505)
C19H19N3OS2

>  <MolWeight> (1,505)
369.50366

>  <PCAT_CMPD_ID> (1,505)
WAY-311644

>  <CNC_ID> (1,505)
359315385

>  <transfer_container_id> (1,505)
PTN000000065

>  <COMPOUND_NUMBER> (1,505)
WAY-311644

>  <BAR_CODE_NO> (1,505)
3916089

>  <LOCATION_CODE> (1,505)
PTNCS

>  <AMOUNT_CURRENT> (1,505)
33.4

$$$$
WAY-215042
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.5620   -1.2432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5953    0.4068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870   -0.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8745    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078   -0.0140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -1.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -1.2140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620    0.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5755   -0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422    0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5422    0.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255    1.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6630    0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255    1.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6422    1.3193    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  4  2  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 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 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
  3  5  2  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,506)
1506

>  <Formula> (1,506)
C12H14N4O

>  <MolWeight> (1,506)
230.26576

>  <PCAT_CMPD_ID> (1,506)
WAY-215042

>  <CNC_ID> (1,506)
359313759

>  <transfer_container_id> (1,506)
PTN000000065

>  <COMPOUND_NUMBER> (1,506)
WAY-215042

>  <BAR_CODE_NO> (1,506)
3916642

>  <LOCATION_CODE> (1,506)
PTNCS

>  <AMOUNT_CURRENT> (1,506)
33.2

$$$$
WAY-311022
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.0977   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977    0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810   -0.6996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810   -0.7246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023   -0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810    0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2977   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3023   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023   -1.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3023    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9023   -0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023    0.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5023    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5023   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9023    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190    0.6379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    1.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8977   -0.6996    0.0000 C   0  0  0  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  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  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  5  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  5  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  4  1  0  0  0  0
 22  9  1  0  0  0  0
  4  8  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,507)
1507

>  <Formula> (1,507)
C16H15ClN2O2S

>  <MolWeight> (1,507)
334.8205

>  <PCAT_CMPD_ID> (1,507)
WAY-311022

>  <CNC_ID> (1,507)
359314764

>  <transfer_container_id> (1,507)
PTN000000065

>  <COMPOUND_NUMBER> (1,507)
WAY-311022

>  <BAR_CODE_NO> (1,507)
3915355

>  <LOCATION_CODE> (1,507)
PTNCS

>  <AMOUNT_CURRENT> (1,507)
33.2

$$$$
WAY-117415
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.7725   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5967   -0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5173   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1035    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8449   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3068   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -1.4138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -0.1379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967    1.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449   -1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967    1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7965   -1.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070   -0.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5070    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5171    0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9551   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3033    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7413   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9171    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7033    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3171    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  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
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  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
 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
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
 12 16  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,508)
1508

>  <Formula> (1,508)
C16H12N4O3S

>  <MolWeight> (1,508)
340.35648

>  <PCAT_CMPD_ID> (1,508)
WAY-117415

>  <CNC_ID> (1,508)
359313726

>  <transfer_container_id> (1,508)
PTN000000065

>  <COMPOUND_NUMBER> (1,508)
WAY-117415

>  <BAR_CODE_NO> (1,508)
3915995

>  <LOCATION_CODE> (1,508)
PTNCS

>  <AMOUNT_CURRENT> (1,508)
33.8

$$$$
WAY-311599
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2448    0.2172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1759    1.4069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966   -0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -2.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    1.7069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    2.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379    3.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1931   -2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -1.1483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5069   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7414   -2.4448    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
  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
  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
 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  6  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,509)
1509

>  <Formula> (1,509)
C13H14FN3O2S

>  <MolWeight> (1,509)
295.3325632

>  <PCAT_CMPD_ID> (1,509)
WAY-311599

>  <CNC_ID> (1,509)
359315340

>  <transfer_container_id> (1,509)
PTN000000065

>  <COMPOUND_NUMBER> (1,509)
WAY-311599

>  <BAR_CODE_NO> (1,509)
3916021

>  <LOCATION_CODE> (1,509)
PTNCS

>  <AMOUNT_CURRENT> (1,509)
33.2

$$$$
WAY-310878
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4069   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -1.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -0.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -1.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8138   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -0.1793    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6862   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.1276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.9586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -0.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    2.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    2.7862    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  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  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  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  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  7  1  0  0  0  0
 15 16  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,510)
1510

>  <Formula> (1,510)
C18H20N4O2S2

>  <MolWeight> (1,510)
388.507

>  <PCAT_CMPD_ID> (1,510)
WAY-310878

>  <CNC_ID> (1,510)
359314620

>  <transfer_container_id> (1,510)
PTN000000065

>  <COMPOUND_NUMBER> (1,510)
WAY-310878

>  <BAR_CODE_NO> (1,510)
3915172

>  <LOCATION_CODE> (1,510)
PTNCS

>  <AMOUNT_CURRENT> (1,510)
33.4

$$$$
WAY-344255-A
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.4975   -0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025   -1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630   -1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5354    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715   -0.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664   -0.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6285   -2.6695    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7354    1.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1336   -1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9043    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3060    1.1581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9301    1.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0198   -0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078    1.3685    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
  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
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
  8 11  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,511)
1511

>  <Formula> (1,511)
C10H8Cl2N2S

>  <MolWeight> (1,511)
259.15492

>  <PCAT_CMPD_ID> (1,511)
WAY-344255-A

>  <CNC_ID> (1,511)
359319593

>  <transfer_container_id> (1,511)
PTN000000065

>  <COMPOUND_NUMBER> (1,511)
WAY-344255-A

>  <BAR_CODE_NO> (1,511)
2554641

>  <LOCATION_CODE> (1,511)
PTNCS

>  <AMOUNT_CURRENT> (1,511)
32.9

$$$$
WAY-310545
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.5552    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5552    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -0.2723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276   -0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276    1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    2.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448   -0.2861    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    0.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862   -1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207   -1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
 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  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
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,512)
1512

>  <Formula> (1,512)
C17H16N2O3S

>  <MolWeight> (1,512)
328.38554

>  <PCAT_CMPD_ID> (1,512)
WAY-310545

>  <CNC_ID> (1,512)
359314286

>  <transfer_container_id> (1,512)
PTN000000065

>  <COMPOUND_NUMBER> (1,512)
WAY-310545

>  <BAR_CODE_NO> (1,512)
3914776

>  <LOCATION_CODE> (1,512)
PTNCS

>  <AMOUNT_CURRENT> (1,512)
33.2

$$$$
WAY-311539
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1241   -0.1828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3552   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1241   -1.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -1.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0655    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -1.2931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6655    0.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    1.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 19 21  1  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> (1,513)
1513

>  <Formula> (1,513)
C15H15N5O

>  <MolWeight> (1,513)
281.3125

>  <PCAT_CMPD_ID> (1,513)
WAY-311539

>  <CNC_ID> (1,513)
359315280

>  <transfer_container_id> (1,513)
PTN000000065

>  <COMPOUND_NUMBER> (1,513)
WAY-311539

>  <BAR_CODE_NO> (1,513)
3915942

>  <LOCATION_CODE> (1,513)
PTNCS

>  <AMOUNT_CURRENT> (1,513)
33.3

$$$$
WAY-311725
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3172   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655   -0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069    0.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586    0.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2552   -0.8037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552   -0.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -0.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    0.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172    0.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655   -0.1658    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  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  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
  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> (1,514)
1514

>  <Formula> (1,514)
C15H13N3O2

>  <MolWeight> (1,514)
267.28262

>  <PCAT_CMPD_ID> (1,514)
WAY-311725

>  <CNC_ID> (1,514)
359315466

>  <transfer_container_id> (1,514)
PTN000000065

>  <COMPOUND_NUMBER> (1,514)
WAY-311725

>  <BAR_CODE_NO> (1,514)
3916199

>  <LOCATION_CODE> (1,514)
PTNCS

>  <AMOUNT_CURRENT> (1,514)
33.8

$$$$
WAY-313068-A
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.7937    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0598   -1.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5519   -1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1649   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2858    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811    1.7106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6893   -0.5045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115    1.5763    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2039    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730    1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7883    0.4311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6347   -1.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8501   -1.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2191   -1.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3727    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1574    1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  2  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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
  9  2  1  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
 12 13  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
 18 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,515)
1515

>  <Formula> (1,515)
C13H17N3OS

>  <MolWeight> (1,515)
263.35858

>  <PCAT_CMPD_ID> (1,515)
WAY-313068-A

>  <CNC_ID> (1,515)
359328104

>  <transfer_container_id> (1,515)
PTN000000067

>  <COMPOUND_NUMBER> (1,515)
WAY-313068-A

>  <BAR_CODE_NO> (1,515)
3917851

>  <LOCATION_CODE> (1,515)
PTNCS

>  <AMOUNT_CURRENT> (1,515)
33.9

$$$$
WAY-344922
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   11.0167  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8792  -13.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625  -12.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167  -10.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250  -11.1667    0.0000 C   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
   15.8542  -11.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292  -12.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6542  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125  -12.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375  -10.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875  -11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250  -10.1292    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  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13 11  2  0  0  0  0
 14 17  1  0  0  0  0
 15  5  2  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 10  1  0  0  0  0
 20 14  1  0  0  0  0
  3  9  1  0  0  0  0
  6  7  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,516)
1516

>  <Formula> (1,516)
C16H15N3O

>  <MolWeight> (1,516)
265.3098

>  <PCAT_CMPD_ID> (1,516)
WAY-344922

>  <CNC_ID> (1,516)
359320233

>  <transfer_container_id> (1,516)
PTN000000065

>  <COMPOUND_NUMBER> (1,516)
WAY-344922

>  <BAR_CODE_NO> (1,516)
2555231

>  <LOCATION_CODE> (1,516)
PTNCS

>  <AMOUNT_CURRENT> (1,516)
32.5

$$$$
WAY-314953
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.0310    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517   -0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345   -0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655    0.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -0.9276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6862   -0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -2.0103    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
  4  7  2  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
  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
 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
 17 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  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 11  1  0  0  0  0
 14 16  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,517)
1517

>  <Formula> (1,517)
C18H24N6O2

>  <MolWeight> (1,517)
356.42216

>  <PCAT_CMPD_ID> (1,517)
WAY-314953

>  <CNC_ID> (1,517)
359329990

>  <transfer_container_id> (1,517)
PTN000000067

>  <COMPOUND_NUMBER> (1,517)
WAY-314953

>  <BAR_CODE_NO> (1,517)
1364602

>  <LOCATION_CODE> (1,517)
PTNCS

>  <AMOUNT_CURRENT> (1,517)
33

$$$$
WAY-312499
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.1792   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -2.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750    2.7875    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  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  2  0  0  0  0
  9  5  2  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 10  1  0  0  0  0
 14 13  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 12  2  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 19  1  0  0  0  0
 24 23  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,518)
1518

>  <Formula> (1,518)
C18H19N3O3

>  <MolWeight> (1,518)
325.36176

>  <PCAT_CMPD_ID> (1,518)
WAY-312499

>  <CNC_ID> (1,518)
359316239

>  <transfer_container_id> (1,518)
PTN000000065

>  <COMPOUND_NUMBER> (1,518)
WAY-312499

>  <BAR_CODE_NO> (1,518)
3917141

>  <LOCATION_CODE> (1,518)
PTNCS

>  <AMOUNT_CURRENT> (1,518)
33.3

$$$$
WAY-343875
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.9792    4.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    4.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    4.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -3.4417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -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  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 12  1  0  0  0  0
  8  4  2  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 10  2  0  0  0  0
 13  4  1  0  0  0  0
 14 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 25  1  0  0  0  0
 17 15  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  3  1  0  0  0  0
 23  3  1  0  0  0  0
 24 13  1  0  0  0  0
 25 24  1  0  0  0  0
  7 11  2  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,519)
1519

>  <Formula> (1,519)
C17H19BrN2O3S2

>  <MolWeight> (1,519)
443.37836

>  <PCAT_CMPD_ID> (1,519)
WAY-343875

>  <CNC_ID> (1,519)
359319216

>  <transfer_container_id> (1,519)
PTN000000065

>  <COMPOUND_NUMBER> (1,519)
WAY-343875

>  <BAR_CODE_NO> (1,519)
2554282

>  <LOCATION_CODE> (1,519)
PTNCS

>  <AMOUNT_CURRENT> (1,519)
32.6

$$$$
WAY-313331
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.2010   -0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4115   -0.1008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2323   -0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5219    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2323   -1.5591    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115   -1.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9865   -0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552    0.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219   -0.7008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9865    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7740   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5531    0.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010   -0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7615    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5781   -0.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3281    1.2950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9010    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2469    0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7885    0.8575    0.0000 C   0  0  0  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  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11 15  1  0  0  0  0
 12  9  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 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  2  0  0  0  0
 21 19  2  0  0  0  0
  7  4  2  0  0  0  0
 20 21  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,520)
1520

>  <Formula> (1,520)
C15H10ClN3OS

>  <MolWeight> (1,520)
315.7774

>  <PCAT_CMPD_ID> (1,520)
WAY-313331

>  <CNC_ID> (1,520)
359328367

>  <transfer_container_id> (1,520)
PTN000000067

>  <COMPOUND_NUMBER> (1,520)
WAY-313331

>  <BAR_CODE_NO> (1,520)
3918201

>  <LOCATION_CODE> (1,520)
PTNCS

>  <AMOUNT_CURRENT> (1,520)
33.4

$$$$
WAY-312263
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.0276   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -0.0138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -1.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.7448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414    1.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -2.9241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1931   -1.7655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276   -2.6241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    2.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    3.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -0.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -2.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276    0.6690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9931   -0.0310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5586    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -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  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
  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
 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
 14 20  1  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  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  1  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
 29 32  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,521)
1521

>  <Formula> (1,521)
C21H24F3N3O4S

>  <MolWeight> (1,521)
471.4931696

>  <PCAT_CMPD_ID> (1,521)
WAY-312263

>  <CNC_ID> (1,521)
359316003

>  <transfer_container_id> (1,521)
PTN000000065

>  <COMPOUND_NUMBER> (1,521)
WAY-312263

>  <BAR_CODE_NO> (1,521)
3916865

>  <LOCATION_CODE> (1,521)
PTNCS

>  <AMOUNT_CURRENT> (1,521)
33.6

$$$$
WAY-623509
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.4042   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -3.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7750   -2.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2875    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    4.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -3.0250    0.0000 O   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  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 25  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  9  1  0  0  0  0
 12 26  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 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18  5  2  0  0  0  0
 19  4  2  0  0  0  0
 20 12  2  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23  7  2  0  0  0  0
 24 11  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27  3  1  0  0  0  0
 24 10  1  0  0  0  0
 17  3  1  0  0  0  0
 16  3  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,522)
1522

>  <Formula> (1,522)
C19H24N2O6

>  <MolWeight> (1,522)
376.40366

>  <PCAT_CMPD_ID> (1,522)
WAY-623509

>  <CNC_ID> (1,522)
359322129

>  <transfer_container_id> (1,522)
PTN000000065

>  <COMPOUND_NUMBER> (1,522)
WAY-623509

>  <BAR_CODE_NO> (1,522)
90457678

>  <LOCATION_CODE> (1,522)
PTNCS

>  <AMOUNT_CURRENT> (1,522)
32.9

$$$$
WAY-641854
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.0542   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.4417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8417   -2.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    2.4708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4125    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.3292    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
    0.3542    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    3.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -3.8417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4583   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    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  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  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 18  1  0  0  0  0
 13 10  1  0  0  0  0
 14  4  1  0  0  0  0
 15  2  2  0  0  0  0
 16  8  1  0  0  0  0
 17  3  2  0  0  0  0
 18 11  1  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 11  2  0  0  0  0
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 25  7  1  0  0  0  0
 26  7  1  0  0  0  0
 27 13  1  0  0  0  0
 28 13  1  0  0  0  0
 29 23  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
 32 30  1  0  0  0  0
  5  4  1  0  0  0  0
 24 13  1  0  0  0  0
 20 21  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,523)
1523

>  <Formula> (1,523)
C24H36N4O4

>  <MolWeight> (1,523)
444.56704

>  <PCAT_CMPD_ID> (1,523)
WAY-641854

>  <CNC_ID> (1,523)
359323592

>  <transfer_container_id> (1,523)
PTN000000065

>  <COMPOUND_NUMBER> (1,523)
WAY-641854

>  <BAR_CODE_NO> (1,523)
90476407

>  <LOCATION_CODE> (1,523)
PTNCS

>  <AMOUNT_CURRENT> (1,523)
32.3

$$$$
WAY-643814
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1042    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7083    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -4.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.8708    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  6  1  0  0  0  0
  5  8  3  0  0  0  0
  6  7  1  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  4  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  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 18  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20  2  1  0  0  0  0
 21  2  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
 13 14  2  0  0  0  0
 24 23  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,524)
1524

>  <Formula> (1,524)
C19H21N3O2

>  <MolWeight> (1,524)
323.38894

>  <PCAT_CMPD_ID> (1,524)
WAY-643814

>  <CNC_ID> (1,524)
359325552

>  <transfer_container_id> (1,524)
PTN000000065

>  <COMPOUND_NUMBER> (1,524)
WAY-643814

>  <BAR_CODE_NO> (1,524)
90478386

>  <LOCATION_CODE> (1,524)
PTNCS

>  <AMOUNT_CURRENT> (1,524)
32

$$$$
WAY-643046
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.9833   -1.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.8833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.5083    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
    0.4500   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -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  4  1  0  0  0  0
  4 13  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 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 25  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16 10  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  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  5  1  0  0  0  0
 23  5  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 29  1  0  0  0  0
 27  2  1  0  0  0  0
 28  2  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 24 13  1  0  0  0  0
 26 30  1  0  0  0  0
 19 21  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,525)
1525

>  <Formula> (1,525)
C21H22N2O5S2

>  <MolWeight> (1,525)
446.53978

>  <PCAT_CMPD_ID> (1,525)
WAY-643046

>  <CNC_ID> (1,525)
359324784

>  <transfer_container_id> (1,525)
PTN000000065

>  <COMPOUND_NUMBER> (1,525)
WAY-643046

>  <BAR_CODE_NO> (1,525)
90477614

>  <LOCATION_CODE> (1,525)
PTNCS

>  <AMOUNT_CURRENT> (1,525)
32.8

$$$$
WAY-616953
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.3667   -1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083    0.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5083    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667   -0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5458    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6083    2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    2.4625    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  2  0  0  0  0
  5 13  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  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13 15  1  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  4  1  0  0  0  0
 18 12  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
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 11  8  1  0  0  0  0
  6  3  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,526)
1526

>  <Formula> (1,526)
C16H21N3O3S2

>  <MolWeight> (1,526)
367.48624

>  <PCAT_CMPD_ID> (1,526)
WAY-616953

>  <CNC_ID> (1,526)
359322039

>  <transfer_container_id> (1,526)
PTN000000065

>  <COMPOUND_NUMBER> (1,526)
WAY-616953

>  <BAR_CODE_NO> (1,526)
90450954

>  <LOCATION_CODE> (1,526)
PTNCS

>  <AMOUNT_CURRENT> (1,526)
32.8

$$$$
WAY-331407
csChFnd80/11182011152D

 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
   -9.8125    4.4083    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
   -7.9625    7.5875    0.0000 C   0  0  3  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    1.2625    0.0000 C   0  0  0  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
   -4.3292    7.6125    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
   -2.4875    8.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625   -2.9375    0.0000 C   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
   -4.1625   -5.0250    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
   -2.4375   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9667   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -3.6250    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   10.7250    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
   -9.8125   12.8375    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
   -7.9708   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  2  2  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  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  7  1  0  0  0  0
 12 10  3  0  0  0  0
 13 17  1  0  0  0  0
 14  6  1  0  0  0  0
 15  4  2  0  0  0  0
 16 13  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 18  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 23  1  0  0  0  0
 11  5  1  0  0  0  0
  6  3  1  0  0  0  0
 20 19  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,527)
1527

>  <Formula> (1,527)
C19H16ClN3O2S

>  <MolWeight> (1,527)
385.86724

>  <PCAT_CMPD_ID> (1,527)
WAY-331407

>  <CNC_ID> (1,527)
359318760

>  <transfer_container_id> (1,527)
PTN000000065

>  <COMPOUND_NUMBER> (1,527)
WAY-331407

>  <BAR_CODE_NO> (1,527)
306408

>  <LOCATION_CODE> (1,527)
PTNCS

>  <AMOUNT_CURRENT> (1,527)
32.5

$$$$
WAY-331409
csChFnd80/11182011152D

 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
   -9.8125    4.4083    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
   -7.9625    7.5875    0.0000 C   0  0  3  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    1.2625    0.0000 C   0  0  0  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
   -4.3292    7.6125    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
   -2.4875    8.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625   -2.9375    0.0000 C   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
   -4.1625   -5.0250    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
   -2.4375   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9667   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -3.6250    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   10.7250    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
   -6.1375   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
   -7.9708   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  2  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  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  3  0  0  0  0
 13 17  1  0  0  0  0
 14  6  1  0  0  0  0
 15  4  2  0  0  0  0
 16 13  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 18  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 24  2  0  0  0  0
 26 25  1  0  0  0  0
 11  5  1  0  0  0  0
  6  3  1  0  0  0  0
 20 19  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,528)
1528

>  <Formula> (1,528)
C20H19N3O2S

>  <MolWeight> (1,528)
365.44876

>  <PCAT_CMPD_ID> (1,528)
WAY-331409

>  <CNC_ID> (1,528)
359318762

>  <transfer_container_id> (1,528)
PTN000000065

>  <COMPOUND_NUMBER> (1,528)
WAY-331409

>  <BAR_CODE_NO> (1,528)
306410

>  <LOCATION_CODE> (1,528)
PTNCS

>  <AMOUNT_CURRENT> (1,528)
32.5

$$$$
WAY-624091
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.8417    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  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  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 11 15  1  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 14  1  0  0  0  0
 16 13  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 19  2  0  0  0  0
  4  5  1  0  0  0  0
 11 16  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,529)
1529

>  <Formula> (1,529)
C16H18N2O2S

>  <MolWeight> (1,529)
302.39132

>  <PCAT_CMPD_ID> (1,529)
WAY-624091

>  <CNC_ID> (1,529)
359322711

>  <transfer_container_id> (1,529)
PTN000000065

>  <COMPOUND_NUMBER> (1,529)
WAY-624091

>  <BAR_CODE_NO> (1,529)
90458265

>  <LOCATION_CODE> (1,529)
PTNCS

>  <AMOUNT_CURRENT> (1,529)
32.2

$$$$
WAY-641923
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.8917   -1.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    3.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.7875    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  8  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  5  2  0  0  0  0
  9 12  2  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 14  1  0  0  0  0
 14 11  1  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 19  2  0  0  0  0
 19 17  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 18  8  1  0  0  0  0
 27 26  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,530)
1530

>  <Formula> (1,530)
C20H25N3O3S

>  <MolWeight> (1,530)
387.4958

>  <PCAT_CMPD_ID> (1,530)
WAY-641923

>  <CNC_ID> (1,530)
359323661

>  <transfer_container_id> (1,530)
PTN000000065

>  <COMPOUND_NUMBER> (1,530)
WAY-641923

>  <BAR_CODE_NO> (1,530)
90476476

>  <LOCATION_CODE> (1,530)
PTNCS

>  <AMOUNT_CURRENT> (1,530)
32.9

$$$$
WAY-624535
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.2625    4.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -4.0875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5 13  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  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12  6  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 14  1  0  0  0  0
 17 20  1  0  0  0  0
 18  4  1  0  0  0  0
 19  3  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10  9  1  0  0  0  0
 14  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,531)
1531

>  <Formula> (1,531)
C16H18ClNO2S

>  <MolWeight> (1,531)
323.83762

>  <PCAT_CMPD_ID> (1,531)
WAY-624535

>  <CNC_ID> (1,531)
359322956

>  <transfer_container_id> (1,531)
PTN000000065

>  <COMPOUND_NUMBER> (1,531)
WAY-624535

>  <BAR_CODE_NO> (1,531)
90458711

>  <LOCATION_CODE> (1,531)
PTNCS

>  <AMOUNT_CURRENT> (1,531)
32.6

$$$$
WAY-643716
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.6958    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    3.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  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  3  1  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 18  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 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  2  0  0  0  0
  8  9  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,532)
1532

>  <Formula> (1,532)
C16H18N2O3

>  <MolWeight> (1,532)
286.32572

>  <PCAT_CMPD_ID> (1,532)
WAY-643716

>  <CNC_ID> (1,532)
359325454

>  <transfer_container_id> (1,532)
PTN000000065

>  <COMPOUND_NUMBER> (1,532)
WAY-643716

>  <BAR_CODE_NO> (1,532)
90478288

>  <LOCATION_CODE> (1,532)
PTNCS

>  <AMOUNT_CURRENT> (1,532)
32.1

$$$$
WAY-331876
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.4583    0.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.5250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -0.1292    0.0000 Cl  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
   -0.9458    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    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  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 11  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  2  2  0  0  0  0
 13  2  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 20 18  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,533)
1533

>  <Formula> (1,533)
C15H15Cl2NO5S

>  <MolWeight> (1,533)
392.2543

>  <PCAT_CMPD_ID> (1,533)
WAY-331876

>  <CNC_ID> (1,533)
359330414

>  <transfer_container_id> (1,533)
PTN000000067

>  <COMPOUND_NUMBER> (1,533)
WAY-331876

>  <BAR_CODE_NO> (1,533)
306877

>  <LOCATION_CODE> (1,533)
PTNCS

>  <AMOUNT_CURRENT> (1,533)
32.5

$$$$
WAY-331678
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.0125    3.0875    0.0000 S   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
   -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
   -3.8708    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
   -0.3000    3.5083    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
   -3.1583   -0.6375    0.0000 C   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
   -1.4333    3.8000    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    3.0833    0.0000 C   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
    0.4167    3.0875    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
   -4.5833    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -3.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    3.0833    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
    1.8542    2.2708    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  8  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  8  2  0  0  0  0
 17 11  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  9  1  0  0  0  0
 22 26  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  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 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
  7  3  1  0  0  0  0
 30 29  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,534)
1534

>  <Formula> (1,534)
C21H29N3O5S

>  <MolWeight> (1,534)
435.53706

>  <PCAT_CMPD_ID> (1,534)
WAY-331678

>  <CNC_ID> (1,534)
359330216

>  <transfer_container_id> (1,534)
PTN000000067

>  <COMPOUND_NUMBER> (1,534)
WAY-331678

>  <BAR_CODE_NO> (1,534)
306679

>  <LOCATION_CODE> (1,534)
PTNCS

>  <AMOUNT_CURRENT> (1,534)
32.5

$$$$
WAY-624780
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1125    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -2.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    2.3625    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 18  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  5  2  0  0  0  0
 12  3  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 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19  5  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 11 17  1  0  0  0  0
 22 20  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,535)
1535

>  <Formula> (1,535)
C16H17N3O3

>  <MolWeight> (1,535)
299.32448

>  <PCAT_CMPD_ID> (1,535)
WAY-624780

>  <CNC_ID> (1,535)
359323201

>  <transfer_container_id> (1,535)
PTN000000065

>  <COMPOUND_NUMBER> (1,535)
WAY-624780

>  <BAR_CODE_NO> (1,535)
90458958

>  <LOCATION_CODE> (1,535)
PTNCS

>  <AMOUNT_CURRENT> (1,535)
32.1

$$$$
WAY-328988
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.2250   -4.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6083   -4.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6083   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0292   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083  -11.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -4.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458  -12.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3417   -7.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583  -14.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3667    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4625   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250  -15.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625  -12.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667  -14.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -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  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  4  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  3  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 11  2  0  0  0  0
 18 16  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 16  2  0  0  0  0
 23 18  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  1  0  0  0  0
 26 19  2  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
 30 25  2  0  0  0  0
 31 29  2  0  0  0  0
  6  4  1  0  0  0  0
  9  8  2  0  0  0  0
 24 28  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,536)
1536

>  <Formula> (1,536)
C24H23N3O3S

>  <MolWeight> (1,536)
433.52272

>  <PCAT_CMPD_ID> (1,536)
WAY-328988

>  <CNC_ID> (1,536)
359316353

>  <transfer_container_id> (1,536)
PTN000000065

>  <COMPOUND_NUMBER> (1,536)
WAY-328988

>  <BAR_CODE_NO> (1,536)
303989

>  <LOCATION_CODE> (1,536)
PTNCS

>  <AMOUNT_CURRENT> (1,536)
32.5

$$$$
WAY-328970
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
  -10.4000    4.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8167    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8167    6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9625    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9375    6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3917    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3917    4.4208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3667    7.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3417    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4167    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5042    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5042    4.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8417    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3750    9.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4000   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8417   -3.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8417   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1583   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4917   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8417   -5.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2667    2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5042    9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0792    6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4000   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8917    8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0792    9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    9.9000    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  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  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15 24  1  0  0  0  0
 16 15  1  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 18  1  0  0  0  0
 21 13  2  0  0  0  0
 22 11  2  0  0  0  0
 23 11  1  0  0  0  0
 24 17  1  0  0  0  0
 25 27  1  0  0  0  0
 26  8  1  0  0  0  0
 27 23  2  0  0  0  0
 28 22  1  0  0  0  0
 29  9  1  0  0  0  0
 30 25  1  0  0  0  0
  6  3  1  0  0  0  0
  9  8  2  0  0  0  0
 28 25  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,537)
1537

>  <Formula> (1,537)
C21H18FN3O4S

>  <MolWeight> (1,537)
427.4487232

>  <PCAT_CMPD_ID> (1,537)
WAY-328970

>  <CNC_ID> (1,537)
359316335

>  <transfer_container_id> (1,537)
PTN000000065

>  <COMPOUND_NUMBER> (1,537)
WAY-328970

>  <BAR_CODE_NO> (1,537)
303971

>  <LOCATION_CODE> (1,537)
PTNCS

>  <AMOUNT_CURRENT> (1,537)
32.5

$$$$
WAY-329190
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.0042   -7.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -9.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667  -11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917  -13.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500  -13.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -9.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042  -13.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667   -5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292   -4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667  -13.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375  -11.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417  -15.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667  -15.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042  -11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375  -15.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -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  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  1  1  0  0  0  0
  8  9  1  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  7  1  0  0  0  0
 13  2  2  0  0  0  0
 14 11  2  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  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 11  1  0  0  0  0
 23  5  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
 26  6  1  0  0  0  0
 27 14  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
  3  6  1  0  0  0  0
 21 20  2  0  0  0  0
 30 26  2  0  0  0  0
 24 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,538)
1538

>  <Formula> (1,538)
C23H21N3O4

>  <MolWeight> (1,538)
403.43054

>  <PCAT_CMPD_ID> (1,538)
WAY-329190

>  <CNC_ID> (1,538)
359316555

>  <transfer_container_id> (1,538)
PTN000000065

>  <COMPOUND_NUMBER> (1,538)
WAY-329190

>  <BAR_CODE_NO> (1,538)
304191

>  <LOCATION_CODE> (1,538)
PTNCS

>  <AMOUNT_CURRENT> (1,538)
32.5

$$$$
WAY-329178
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.7500   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -7.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -2.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292  -11.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -1.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7708   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -9.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667  -13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042  -13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875  -12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250  -14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167  -14.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250   -5.2292    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
  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  1  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  2  2  0  0  0  0
 12  4  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  9  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
 20  5  1  0  0  0  0
 21 26  2  0  0  0  0
 22  6  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 21  1  0  0  0  0
 28 27  1  0  0  0  0
 29 20  2  0  0  0  0
 30 29  1  0  0  0  0
  3  6  1  0  0  0  0
 18 17  2  0  0  0  0
 30 22  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,539)
1539

>  <Formula> (1,539)
C22H19N3O5

>  <MolWeight> (1,539)
405.40336

>  <PCAT_CMPD_ID> (1,539)
WAY-329178

>  <CNC_ID> (1,539)
359316543

>  <transfer_container_id> (1,539)
PTN000000065

>  <COMPOUND_NUMBER> (1,539)
WAY-329178

>  <BAR_CODE_NO> (1,539)
304179

>  <LOCATION_CODE> (1,539)
PTNCS

>  <AMOUNT_CURRENT> (1,539)
32.5

$$$$
WAY-624461
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.3792    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -2.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -4.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.9625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    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  2  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6  5  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  2  1  0  0  0  0
 11 21  1  0  0  0  0
 12  3  1  0  0  0  0
 13 23  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  2  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 11  2  0  0  0  0
 21 10  1  0  0  0  0
 22  4  2  0  0  0  0
 23 14  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 22  1  0  0  0  0
 12 26  2  0  0  0  0
  7  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,540)
1540

>  <Formula> (1,540)
C18H15Cl2N3O4

>  <MolWeight> (1,540)
408.2354

>  <PCAT_CMPD_ID> (1,540)
WAY-624461

>  <CNC_ID> (1,540)
359322882

>  <transfer_container_id> (1,540)
PTN000000065

>  <COMPOUND_NUMBER> (1,540)
WAY-624461

>  <BAR_CODE_NO> (1,540)
90458637

>  <LOCATION_CODE> (1,540)
PTNCS

>  <AMOUNT_CURRENT> (1,540)
32.4

$$$$
WAY-643918
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.8042    1.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -3.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -3.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2750   -3.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0417    3.9625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.9458    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
    1.9042    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    4.2292    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  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 15  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 19  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  2  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19 13  1  0  0  0  0
 20 12  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 19  1  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
  5  2  1  0  0  0  0
 29 25  2  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,541)
1541

>  <Formula> (1,541)
C21H26ClN3O4

>  <MolWeight> (1,541)
419.90184

>  <PCAT_CMPD_ID> (1,541)
WAY-643918

>  <CNC_ID> (1,541)
359325657

>  <transfer_container_id> (1,541)
PTN000000065

>  <COMPOUND_NUMBER> (1,541)
WAY-643918

>  <BAR_CODE_NO> (1,541)
90478492

>  <LOCATION_CODE> (1,541)
PTNCS

>  <AMOUNT_CURRENT> (1,541)
32.5

$$$$
WAY-330577
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.5125   -2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -3.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0167   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -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  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  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  8  1  0  0  0  0
 16  6  2  0  0  0  0
 17  4  2  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  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 18  1  0  0  0  0
 24 23  2  0  0  0  0
  4  6  1  0  0  0  0
 14 13  2  0  0  0  0
 22 21  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,542)
1542

>  <Formula> (1,542)
C20H18N2O2

>  <MolWeight> (1,542)
318.36912

>  <PCAT_CMPD_ID> (1,542)
WAY-330577

>  <CNC_ID> (1,542)
359317932

>  <transfer_container_id> (1,542)
PTN000000065

>  <COMPOUND_NUMBER> (1,542)
WAY-330577

>  <BAR_CODE_NO> (1,542)
305578

>  <LOCATION_CODE> (1,542)
PTNCS

>  <AMOUNT_CURRENT> (1,542)
32.5

$$$$
WAY-330583
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0000   -2.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -3.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5042   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -4.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -1.2375    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
    5.5125   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -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  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  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  8  1  0  0  0  0
 16  6  2  0  0  0  0
 17  4  2  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  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 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
  4  6  1  0  0  0  0
 14 13  2  0  0  0  0
 22 21  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,543)
1543

>  <Formula> (1,543)
C21H20N2O2

>  <MolWeight> (1,543)
332.3957

>  <PCAT_CMPD_ID> (1,543)
WAY-330583

>  <CNC_ID> (1,543)
359317938

>  <transfer_container_id> (1,543)
PTN000000065

>  <COMPOUND_NUMBER> (1,543)
WAY-330583

>  <BAR_CODE_NO> (1,543)
305584

>  <LOCATION_CODE> (1,543)
PTNCS

>  <AMOUNT_CURRENT> (1,543)
32.5

$$$$
WAY-344736
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   12.4000   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -5.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250   -4.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -6.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.1167    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  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  4  2  0  0  0  0
 11  6  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  9  1  0  0  0  0
 20 18  1  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
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,544)
1544

>  <Formula> (1,544)
C16H16N2O2S

>  <MolWeight> (1,544)
300.37544

>  <PCAT_CMPD_ID> (1,544)
WAY-344736

>  <CNC_ID> (1,544)
359320048

>  <transfer_container_id> (1,544)
PTN000000069

>  <COMPOUND_NUMBER> (1,544)
WAY-344736

>  <BAR_CODE_NO> (1,544)
90466034

>  <LOCATION_CODE> (1,544)
PTNCS

>  <AMOUNT_CURRENT> (1,544)
32.4

$$$$
WAY-624496
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.9500   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.3167    0.0000 C   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
   -0.3750    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.8417    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  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  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 11  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 16 10  1  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  7  1  0  0  0  0
 21  6  2  0  0  0  0
 22 11  2  0  0  0  0
 23  8  1  0  0  0  0
 24 22  1  0  0  0  0
 25  7  2  0  0  0  0
 26 23  2  0  0  0  0
 27  3  1  0  0  0  0
 28  5  1  0  0  0  0
  2  4  1  0  0  0  0
 19 24  2  0  0  0  0
 14 10  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,545)
1545

>  <Formula> (1,545)
C21H19NO5S

>  <MolWeight> (1,545)
397.44426

>  <PCAT_CMPD_ID> (1,545)
WAY-624496

>  <CNC_ID> (1,545)
359322917

>  <transfer_container_id> (1,545)
PTN000000065

>  <COMPOUND_NUMBER> (1,545)
WAY-624496

>  <BAR_CODE_NO> (1,545)
90458672

>  <LOCATION_CODE> (1,545)
PTNCS

>  <AMOUNT_CURRENT> (1,545)
32.5

$$$$
WAY-624967
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.2792    3.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    3.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -4.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    4.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -5.6000    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 14  1  0  0  0  0
  8  7  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  8  2  0  0  0  0
 13 17  1  0  0  0  0
 14 25  2  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 20  1  0  0  0  0
 18  3  1  0  0  0  0
 19 13  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  2  0  0  0  0
 22 11  2  0  0  0  0
 23  1  1  0  0  0  0
 24  2  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 27 19  1  0  0  0  0
 28 19  2  0  0  0  0
 29  9  1  0  0  0  0
 30 12  1  0  0  0  0
  6  5  1  0  0  0  0
 26 14  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,546)
1546

>  <Formula> (1,546)
C20H21N5O5

>  <MolWeight> (1,546)
411.41124

>  <PCAT_CMPD_ID> (1,546)
WAY-624967

>  <CNC_ID> (1,546)
359323388

>  <transfer_container_id> (1,546)
PTN000000065

>  <COMPOUND_NUMBER> (1,546)
WAY-624967

>  <BAR_CODE_NO> (1,546)
90459147

>  <LOCATION_CODE> (1,546)
PTNCS

>  <AMOUNT_CURRENT> (1,546)
32.7

$$$$
WAY-662897
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.9208   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9417    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    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  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  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  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  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20  9  1  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 23  1  0  0  0  0
 25 22  1  0  0  0  0
  9  4  1  0  0  0  0
 25 20  2  0  0  0  0
 19 14  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,547)
1547

>  <Formula> (1,547)
C19H18N4O2

>  <MolWeight> (1,547)
334.37182

>  <PCAT_CMPD_ID> (1,547)
WAY-662897

>  <CNC_ID> (1,547)
359325800

>  <transfer_container_id> (1,547)
PTN000000065

>  <COMPOUND_NUMBER> (1,547)
WAY-662897

>  <BAR_CODE_NO> (1,547)
90497644

>  <LOCATION_CODE> (1,547)
PTNCS

>  <AMOUNT_CURRENT> (1,547)
32.6

$$$$
WAY-332986
csChFnd80/11182011152D

 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
   -0.6583    2.6875    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
   -4.2958    0.6958    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
   -4.0458    0.3708    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
   -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
   -4.2083   -0.0250    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  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 24  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
 22 12  1  0  0  0  0
 23 12  1  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
  7  8  1  0  0  0  0
  5  4  2  0  0  0  0
 19 21  2  0  0  0  0
 25 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,548)
1548

>  <Formula> (1,548)
C17H18N6O3

>  <MolWeight> (1,548)
354.36322

>  <PCAT_CMPD_ID> (1,548)
WAY-332986

>  <CNC_ID> (1,548)
359331521

>  <transfer_container_id> (1,548)
PTN000000067

>  <COMPOUND_NUMBER> (1,548)
WAY-332986

>  <BAR_CODE_NO> (1,548)
307987

>  <LOCATION_CODE> (1,548)
PTNCS

>  <AMOUNT_CURRENT> (1,548)
32.5

$$$$
WAY-332987
csChFnd80/11182011152D

 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
   -2.4625    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
   -1.3750    2.2708    0.0000 N   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
   -3.7333    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
   -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
   -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
   -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
   -1.0208    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
   -4.0458    0.3708    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
   -4.2083   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    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  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 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  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 11  1  0  0  0  0
 17 11  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 17  1  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 24  1  0  0  0  0
 27 25  1  0  0  0  0
  7  8  1  0  0  0  0
  5  4  2  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,549)
1549

>  <Formula> (1,549)
C19H22N6O2

>  <MolWeight> (1,549)
366.41698

>  <PCAT_CMPD_ID> (1,549)
WAY-332987

>  <CNC_ID> (1,549)
359331522

>  <transfer_container_id> (1,549)
PTN000000067

>  <COMPOUND_NUMBER> (1,549)
WAY-332987

>  <BAR_CODE_NO> (1,549)
307988

>  <LOCATION_CODE> (1,549)
PTNCS

>  <AMOUNT_CURRENT> (1,549)
32.5

$$$$
WAY-333000
csChFnd80/11182011152D

 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
   -2.8250    2.6958    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
   -1.7375    1.6458    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
   -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
   -0.6583    2.2708    0.0000 C   0  0  3  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
   -3.6250    0.4333    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
   -0.1583    2.7208    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
   -0.2958    2.0625    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
  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  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 20  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 19  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 16  1  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  4  2  0  0  0  0
  8  7  1  0  0  0  0
 21 23  2  0  0  0  0
 27 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,550)
1550

>  <Formula> (1,550)
C18H20N6O3

>  <MolWeight> (1,550)
368.3898

>  <PCAT_CMPD_ID> (1,550)
WAY-333000

>  <CNC_ID> (1,550)
359331535

>  <transfer_container_id> (1,550)
PTN000000067

>  <COMPOUND_NUMBER> (1,550)
WAY-333000

>  <BAR_CODE_NO> (1,550)
308001

>  <LOCATION_CODE> (1,550)
PTNCS

>  <AMOUNT_CURRENT> (1,550)
32.5

$$$$
WAY-624020
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1625    3.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    4.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    4.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    4.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4208    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -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  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 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12 18  2  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  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 28  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  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  6  1  0  0  0  0
 26  6  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  1  0  0  0  0
  3  4  1  0  0  0  0
 17 12  1  0  0  0  0
 23 22  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,551)
1551

>  <Formula> (1,551)
C21H24N6O3

>  <MolWeight> (1,551)
408.45366

>  <PCAT_CMPD_ID> (1,551)
WAY-624020

>  <CNC_ID> (1,551)
359322640

>  <transfer_container_id> (1,551)
PTN000000065

>  <COMPOUND_NUMBER> (1,551)
WAY-624020

>  <BAR_CODE_NO> (1,551)
90458194

>  <LOCATION_CODE> (1,551)
PTNCS

>  <AMOUNT_CURRENT> (1,551)
32.3

$$$$
WAY-329909
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   14.1375  -12.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -9.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9375  -10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -9.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1375  -13.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625  -12.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125  -12.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042  -13.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750  -13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417  -13.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250  -11.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750  -15.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042  -14.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417  -14.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167  -13.2792    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  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  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  2  0  0  0  0
 17 15  2  0  0  0  0
 18 12  1  0  0  0  0
  3  5  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,552)
1552

>  <Formula> (1,552)
C12H15N3O2S

>  <MolWeight> (1,552)
265.3314

>  <PCAT_CMPD_ID> (1,552)
WAY-329909

>  <CNC_ID> (1,552)
359317275

>  <transfer_container_id> (1,552)
PTN000000065

>  <COMPOUND_NUMBER> (1,552)
WAY-329909

>  <BAR_CODE_NO> (1,552)
304910

>  <LOCATION_CODE> (1,552)
PTNCS

>  <AMOUNT_CURRENT> (1,552)
32.5

$$$$
WAY-329907
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.8792   -5.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6500   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4792   -5.6542    0.0000 C   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
   14.6500   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1167   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -5.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250   -6.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667   -7.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7625   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -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  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  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 13  2  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 11  2  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17 18  2  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
  3  5  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,553)
1553

>  <Formula> (1,553)
C13H15N3O3S

>  <MolWeight> (1,553)
293.3415

>  <PCAT_CMPD_ID> (1,553)
WAY-329907

>  <CNC_ID> (1,553)
359317273

>  <transfer_container_id> (1,553)
PTN000000065

>  <COMPOUND_NUMBER> (1,553)
WAY-329907

>  <BAR_CODE_NO> (1,553)
304908

>  <LOCATION_CODE> (1,553)
PTNCS

>  <AMOUNT_CURRENT> (1,553)
32.5

$$$$
WAY-642049
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.7125   -1.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.2750    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
   -2.1458    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    3.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    3.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.5500    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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  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 19  2  0  0  0  0
 11  4  2  0  0  0  0
 12 22  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  7  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23  7  1  0  0  0  0
 24  2  1  0  0  0  0
 25 11  1  0  0  0  0
 26  4  1  0  0  0  0
 27 11  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
 10 20  1  0  0  0  0
 30 27  2  0  0  0  0
 12 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,554)
1554

>  <Formula> (1,554)
C21H25N3O5S

>  <MolWeight> (1,554)
431.5053

>  <PCAT_CMPD_ID> (1,554)
WAY-642049

>  <CNC_ID> (1,554)
359323787

>  <transfer_container_id> (1,554)
PTN000000065

>  <COMPOUND_NUMBER> (1,554)
WAY-642049

>  <BAR_CODE_NO> (1,554)
90476603

>  <LOCATION_CODE> (1,554)
PTNCS

>  <AMOUNT_CURRENT> (1,554)
32.3

$$$$
WAY-624475
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    0.8292   -2.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.5625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    4.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -3.7000    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  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  1  2  0  0  0  0
 10 16  1  0  0  0  0
 11  7  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 20  2  0  0  0  0
 17  7  2  0  0  0  0
 18  5  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22  3  2  0  0  0  0
 23  4  1  0  0  0  0
 24 20  1  0  0  0  0
 25  6  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 18  2  0  0  0  0
 29 26  2  0  0  0  0
  5  4  2  0  0  0  0
 29 18  1  0  0  0  0
 28 27  1  0  0  0  0
 12 10  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,555)
1555

>  <Formula> (1,555)
C21H18N2O5S

>  <MolWeight> (1,555)
410.44302

>  <PCAT_CMPD_ID> (1,555)
WAY-624475

>  <CNC_ID> (1,555)
359322896

>  <transfer_container_id> (1,555)
PTN000000065

>  <COMPOUND_NUMBER> (1,555)
WAY-624475

>  <BAR_CODE_NO> (1,555)
90458651

>  <LOCATION_CODE> (1,555)
PTNCS

>  <AMOUNT_CURRENT> (1,555)
32.4

$$$$
WAY-616773
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7375   -1.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667    1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    4.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417   -2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    3.6167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6833   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    4.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0042   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12 17  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 19  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  2  1  0  0  0  0
 21  3  1  0  0  0  0
 22 16  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 22  1  0  0  0  0
 27 17  1  0  0  0  0
 28 27  1  0  0  0  0
  8 23  2  0  0  0  0
 18 16  2  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,556)
1556

>  <Formula> (1,556)
C20H24N2O5S

>  <MolWeight> (1,556)
404.47996

>  <PCAT_CMPD_ID> (1,556)
WAY-616773

>  <CNC_ID> (1,556)
359321859

>  <transfer_container_id> (1,556)
PTN000000065

>  <COMPOUND_NUMBER> (1,556)
WAY-616773

>  <BAR_CODE_NO> (1,556)
90450769

>  <LOCATION_CODE> (1,556)
PTNCS

>  <AMOUNT_CURRENT> (1,556)
32.6

$$$$
WAY-329617
csChFnd80/11182011152D

 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    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5792    4.1250    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
  -14.2583    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5792    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2917    1.2250    0.0000 C   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
  -16.0000    0.2458    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 17  1  0  0  0  0
 20 16  2  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
 24 22  1  0  0  0  0
  6  4  1  0  0  0  0
 14 15  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,557)
1557

>  <Formula> (1,557)
C20H20O4

>  <MolWeight> (1,557)
324.3704

>  <PCAT_CMPD_ID> (1,557)
WAY-329617

>  <CNC_ID> (1,557)
359316985

>  <transfer_container_id> (1,557)
PTN000000065

>  <COMPOUND_NUMBER> (1,557)
WAY-329617

>  <BAR_CODE_NO> (1,557)
304618

>  <LOCATION_CODE> (1,557)
PTNCS

>  <AMOUNT_CURRENT> (1,557)
32.5

$$$$
WAY-642380
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.4458   -1.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -4.8542    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 14  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  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 13  2  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  3  2  0  0  0  0
 17  7  2  0  0  0  0
 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 20 12  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 20  1  0  0  0  0
 26 24  1  0  0  0  0
 21 22  2  0  0  0  0
  4 15  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,558)
1558

>  <Formula> (1,558)
C17H20N4O4S

>  <MolWeight> (1,558)
376.4301

>  <PCAT_CMPD_ID> (1,558)
WAY-642380

>  <CNC_ID> (1,558)
359324118

>  <transfer_container_id> (1,558)
PTN000000065

>  <COMPOUND_NUMBER> (1,558)
WAY-642380

>  <BAR_CODE_NO> (1,558)
90476939

>  <LOCATION_CODE> (1,558)
PTNCS

>  <AMOUNT_CURRENT> (1,558)
32.6

$$$$
WAY-623458
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8375   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.2875    0.0000 N   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
    1.6167    0.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.8000    0.0000 C   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
    2.9292   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -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  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  2  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  5  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 23  1  0  0  0  0
 18 14  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 15  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
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 16 18  2  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,559)
1559

>  <Formula> (1,559)
C19H19N3O2S

>  <MolWeight> (1,559)
353.43806

>  <PCAT_CMPD_ID> (1,559)
WAY-623458

>  <CNC_ID> (1,559)
359322079

>  <transfer_container_id> (1,559)
PTN000000065

>  <COMPOUND_NUMBER> (1,559)
WAY-623458

>  <BAR_CODE_NO> (1,559)
90457627

>  <LOCATION_CODE> (1,559)
PTNCS

>  <AMOUNT_CURRENT> (1,559)
32.8

$$$$
WAY-643957
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.9875   -3.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    3.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    5.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -5.6625    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 15  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 24  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  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  2  0  0  0  0
 17  3  2  0  0  0  0
 18  6  1  0  0  0  0
 19  6  2  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22  7  1  0  0  0  0
 23  7  2  0  0  0  0
 24 31  2  0  0  0  0
 25 18  1  0  0  0  0
 26 25  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
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 26  1  0  0  0  0
 33 26  2  0  0  0  0
 34 29  1  0  0  0  0
  4 14  1  0  0  0  0
 28 29  1  0  0  0  0
 24 30  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,560)
1560

>  <Formula> (1,560)
C24H25N3O6S

>  <MolWeight> (1,560)
483.5368

>  <PCAT_CMPD_ID> (1,560)
WAY-643957

>  <CNC_ID> (1,560)
359325696

>  <transfer_container_id> (1,560)
PTN000000065

>  <COMPOUND_NUMBER> (1,560)
WAY-643957

>  <BAR_CODE_NO> (1,560)
90478531

>  <LOCATION_CODE> (1,560)
PTNCS

>  <AMOUNT_CURRENT> (1,560)
32.2

$$$$
WAY-624051
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6083    0.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.6542    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
   -1.1208   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -2.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.8083    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
   -2.2000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.6417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.4292    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.7083    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
    2.4542   -2.1667    0.0000 C   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
  2  1  1  0  0  0  0
  3  7  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  5  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  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  1  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  9  2  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  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  4  1  0  0  0  0
 24  9  1  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 23  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
 30 25  2  0  0  0  0
 19 20  2  0  0  0  0
  3  6  2  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,561)
1561

>  <Formula> (1,561)
C20H15BrFN3O4S

>  <MolWeight> (1,561)
492.3182032

>  <PCAT_CMPD_ID> (1,561)
WAY-624051

>  <CNC_ID> (1,561)
359322671

>  <transfer_container_id> (1,561)
PTN000000065

>  <COMPOUND_NUMBER> (1,561)
WAY-624051

>  <BAR_CODE_NO> (1,561)
90458225

>  <LOCATION_CODE> (1,561)
PTNCS

>  <AMOUNT_CURRENT> (1,561)
32

$$$$
WAY-330650
csChFnd80/11182011152D

 23 25  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
   -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    8.4667    0.0000 N   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
  -10.9625    4.9292    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
   -8.9625    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0042    6.1250    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
   -8.9708   -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  4  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  2  0  0  0  0
 16 19  1  0  0  0  0
 17 10  2  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
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
  2  5  1  0  0  0  0
 10  6  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,562)
1562

>  <Formula> (1,562)
C16H17N3O4

>  <MolWeight> (1,562)
315.32388

>  <PCAT_CMPD_ID> (1,562)
WAY-330650

>  <CNC_ID> (1,562)
359318005

>  <transfer_container_id> (1,562)
PTN000000065

>  <COMPOUND_NUMBER> (1,562)
WAY-330650

>  <BAR_CODE_NO> (1,562)
305651

>  <LOCATION_CODE> (1,562)
PTNCS

>  <AMOUNT_CURRENT> (1,562)
32.5

$$$$
WAY-330665
csChFnd80/11182011152D

 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
    7.0625   -6.6375    0.0000 C   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
   12.7500    0.0875    0.0000 O   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
    7.6875   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -6.6500    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
    7.0750   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -8.8000    0.0000 C   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
   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
    7.7125   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -7.7250    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
    3.3125   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875  -10.9875    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 13  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 22  1  0  0  0  0
 14 10  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 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20  7  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 20  2  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 27  4  1  0  0  0  0
 28  5  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
  3  6  1  0  0  0  0
 21 13  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,563)
1563

>  <Formula> (1,563)
C20H21N3O6S

>  <MolWeight> (1,563)
431.46224

>  <PCAT_CMPD_ID> (1,563)
WAY-330665

>  <CNC_ID> (1,563)
359318020

>  <transfer_container_id> (1,563)
PTN000000065

>  <COMPOUND_NUMBER> (1,563)
WAY-330665

>  <BAR_CODE_NO> (1,563)
305666

>  <LOCATION_CODE> (1,563)
PTNCS

>  <AMOUNT_CURRENT> (1,563)
32.5

$$$$
WAY-616927
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2875    0.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.5667    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
   -0.1375   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    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  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  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  6  1  0  0  0  0
 10 14  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  2  0  0  0  0
 13 20  1  0  0  0  0
 14 11  2  0  0  0  0
 15 21  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  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 26  1  0  0  0  0
 24 10  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 22 15  1  0  0  0  0
  4 10  2  0  0  0  0
 13 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,564)
1564

>  <Formula> (1,564)
C18H21N3O4S

>  <MolWeight> (1,564)
375.44204

>  <PCAT_CMPD_ID> (1,564)
WAY-616927

>  <CNC_ID> (1,564)
359322013

>  <transfer_container_id> (1,564)
PTN000000065

>  <COMPOUND_NUMBER> (1,564)
WAY-616927

>  <BAR_CODE_NO> (1,564)
90450926

>  <LOCATION_CODE> (1,564)
PTNCS

>  <AMOUNT_CURRENT> (1,564)
32.6

$$$$
WAY-331908
csChFnd80/11182011152D

 35 39  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
   -0.2583    5.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    4.0292    0.0000 N   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
   -3.5958    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    5.9792    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
    4.7667    3.0708    0.0000 C   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
  -11.0667   -6.6750    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
  -12.9750   -6.4875    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
    4.7667    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375    4.0292    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
    6.4375    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    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  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  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12 22  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  6  2  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23  9  1  0  0  0  0
 24  9  1  0  0  0  0
 25 19  2  0  0  0  0
 26 20  1  0  0  0  0
 27 26  2  0  0  0  0
 28  5  1  0  0  0  0
 29 18  2  0  0  0  0
 30 18  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  1  0  0  0  0
 33 29  1  0  0  0  0
 34 30  2  0  0  0  0
 35 34  1  0  0  0  0
  5  4  1  0  0  0  0
 27 25  1  0  0  0  0
 12 21  1  0  0  0  0
  8 15  1  0  0  0  0
 33 35  2  0  0  0  0
M  END
>  <Mol_ID> (1,565)
1565

>  <Formula> (1,565)
C29H36N4O2

>  <MolWeight> (1,565)
472.62174

>  <PCAT_CMPD_ID> (1,565)
WAY-331908

>  <CNC_ID> (1,565)
359330446

>  <transfer_container_id> (1,565)
PTN000000067

>  <COMPOUND_NUMBER> (1,565)
WAY-331908

>  <BAR_CODE_NO> (1,565)
306909

>  <LOCATION_CODE> (1,565)
PTNCS

>  <AMOUNT_CURRENT> (1,565)
32.5

$$$$
WAY-329171
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -9.4417   10.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4417    8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9292    7.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9292   10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4167   10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4167    8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9792   10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9792   12.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9292    5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9625    7.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5292   13.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9292   12.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4917   10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500   12.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500   10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4667    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8667   10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5292    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5292   15.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500    2.3375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8667    7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5000    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0167    5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   13.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0167    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5292    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   15.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3500   10.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3500    8.3167    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  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  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  2  0  0  0  0
 12  4  2  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  9  1  0  0  0  0
 17  5  2  0  0  0  0
 18 26  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21  6  2  0  0  0  0
 22 16  2  0  0  0  0
 23 16  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 19  1  0  0  0  0
 28 24  1  0  0  0  0
 29 17  1  0  0  0  0
 30 29  2  0  0  0  0
  3  6  1  0  0  0  0
 11 14  1  0  0  0  0
 30 21  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,566)
1566

>  <Formula> (1,566)
C23H19FN2O4

>  <MolWeight> (1,566)
406.4063632

>  <PCAT_CMPD_ID> (1,566)
WAY-329171

>  <CNC_ID> (1,566)
359316536

>  <transfer_container_id> (1,566)
PTN000000065

>  <COMPOUND_NUMBER> (1,566)
WAY-329171

>  <BAR_CODE_NO> (1,566)
304172

>  <LOCATION_CODE> (1,566)
PTNCS

>  <AMOUNT_CURRENT> (1,566)
32.5

$$$$
WAY-330860
csChFnd80/11182011152D

 29 32  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    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8208    0.9583    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
  -10.1667    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4208    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1792    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
   -8.8667   -0.6292    0.0000 O   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
  -10.2542   -1.4125    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
  -10.2792   -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  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 22  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 19  2  0  0  0  0
 16  5  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  6  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 28  2  0  0  0  0
 26 13  2  0  0  0  0
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
  5  3  1  0  0  0  0
 24 21  2  0  0  0  0
 25 12  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,567)
1567

>  <Formula> (1,567)
C23H21N3O3

>  <MolWeight> (1,567)
387.43114

>  <PCAT_CMPD_ID> (1,567)
WAY-330860

>  <CNC_ID> (1,567)
359318215

>  <transfer_container_id> (1,567)
PTN000000065

>  <COMPOUND_NUMBER> (1,567)
WAY-330860

>  <BAR_CODE_NO> (1,567)
305861

>  <LOCATION_CODE> (1,567)
PTNCS

>  <AMOUNT_CURRENT> (1,567)
32.5

$$$$
WAY-643472
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.2083    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -0.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2125   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    0.7958    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
    4.0417   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -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  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  9  1  0  0  0  0
  9  6  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 20  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  1  0  0  0  0
 18 25  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 10  1  0  0  0  0
 23  4  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  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 28  1  0  0  0  0
  5  4  1  0  0  0  0
 13  8  2  0  0  0  0
 16 15  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,568)
1568

>  <Formula> (1,568)
C21H25N3O5

>  <MolWeight> (1,568)
399.4403

>  <PCAT_CMPD_ID> (1,568)
WAY-643472

>  <CNC_ID> (1,568)
359325210

>  <transfer_container_id> (1,568)
PTN000000065

>  <COMPOUND_NUMBER> (1,568)
WAY-643472

>  <BAR_CODE_NO> (1,568)
90478044

>  <LOCATION_CODE> (1,568)
PTNCS

>  <AMOUNT_CURRENT> (1,568)
32.8

$$$$
WAY-643576
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.0208   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    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  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  3  1  0  0  0  0
  8  2  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 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  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 12  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 18  2  0  0  0  0
 24 19  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
  4  6  1  0  0  0  0
 16 12  2  0  0  0  0
 24 26  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,569)
1569

>  <Formula> (1,569)
C22H18N2OS

>  <MolWeight> (1,569)
358.45612

>  <PCAT_CMPD_ID> (1,569)
WAY-643576

>  <CNC_ID> (1,569)
359325314

>  <transfer_container_id> (1,569)
PTN000000065

>  <COMPOUND_NUMBER> (1,569)
WAY-643576

>  <BAR_CODE_NO> (1,569)
90478148

>  <LOCATION_CODE> (1,569)
PTNCS

>  <AMOUNT_CURRENT> (1,569)
32

$$$$
WAY-623585
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.1417    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5204   -1.8934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.4667    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
   -0.9250    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -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  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  3  0  0  0  0
 14  5  2  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  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 18  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 10  1  0  0  0  0
  6  8  1  0  0  0  0
 23 19  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,570)
1570

>  <Formula> (1,570)
C20H15N5O

>  <MolWeight> (1,570)
341.366

>  <PCAT_CMPD_ID> (1,570)
WAY-623585

>  <CNC_ID> (1,570)
359322205

>  <transfer_container_id> (1,570)
PTN000000065

>  <COMPOUND_NUMBER> (1,570)
WAY-623585

>  <BAR_CODE_NO> (1,570)
90457754

>  <LOCATION_CODE> (1,570)
PTNCS

>  <AMOUNT_CURRENT> (1,570)
32.5

$$$$
WAY-624812
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.5042   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    0.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    0.2250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -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  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  4  2  0  0  0  0
  7 13  1  0  0  0  0
  8  5  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  2  1  0  0  0  0
 13 14  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 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19 24  2  0  0  0  0
 20 17  1  0  0  0  0
 21  6  1  0  0  0  0
 22 19  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
  2  6  1  0  0  0  0
  8 10  2  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,571)
1571

>  <Formula> (1,571)
C18H19FN4OS2

>  <MolWeight> (1,571)
390.4980632

>  <PCAT_CMPD_ID> (1,571)
WAY-624812

>  <CNC_ID> (1,571)
359323233

>  <transfer_container_id> (1,571)
PTN000000065

>  <COMPOUND_NUMBER> (1,571)
WAY-624812

>  <BAR_CODE_NO> (1,571)
90458990

>  <LOCATION_CODE> (1,571)
PTNCS

>  <AMOUNT_CURRENT> (1,571)
32.3

$$$$
WAY-330031
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.0000    6.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   10.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   10.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2542    9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6167    8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5042    8.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    7.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7542   11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0792    6.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8667    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    4.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542   12.5042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3208    8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4250   13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   10.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5625   12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -2.0667    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
  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  1  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10 13  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  5  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  6  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 18  2  0  0  0  0
 23 22  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
  4  3  1  0  0  0  0
 19 23  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,572)
1572

>  <Formula> (1,572)
C18H14FN3O3S

>  <MolWeight> (1,572)
371.3854632

>  <PCAT_CMPD_ID> (1,572)
WAY-330031

>  <CNC_ID> (1,572)
359317397

>  <transfer_container_id> (1,572)
PTN000000065

>  <COMPOUND_NUMBER> (1,572)
WAY-330031

>  <BAR_CODE_NO> (1,572)
305032

>  <LOCATION_CODE> (1,572)
PTNCS

>  <AMOUNT_CURRENT> (1,572)
32.5

$$$$
WAY-330032
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.0000    6.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   10.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   10.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708    8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2542    9.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6167    8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5042    8.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    7.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7542   11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0792    6.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8667    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    4.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6542   12.5042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -4.9250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -14.3208    8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4250   13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   10.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5625   12.6417    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  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 22  1  0  0  0  0
 20 11  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  6  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  3  1  0  0  0  0
 19 21  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,573)
1573

>  <Formula> (1,573)
C18H13ClFN3O3S

>  <MolWeight> (1,573)
405.8305232

>  <PCAT_CMPD_ID> (1,573)
WAY-330032

>  <CNC_ID> (1,573)
359317398

>  <transfer_container_id> (1,573)
PTN000000065

>  <COMPOUND_NUMBER> (1,573)
WAY-330032

>  <BAR_CODE_NO> (1,573)
305033

>  <LOCATION_CODE> (1,573)
PTNCS

>  <AMOUNT_CURRENT> (1,573)
32.5

$$$$
WAY-616062
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.6417    0.1542    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
    0.0750   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417   -1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542    2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417    2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    2.2167    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  6  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  1  1  0  0  0  0
 10  5  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  2  0  0  0  0
  4  2  1  0  0  0  0
 11 16  2  0  0  0  0
  7 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,574)
1574

>  <Formula> (1,574)
C15H12N2O2

>  <MolWeight> (1,574)
252.26798

>  <PCAT_CMPD_ID> (1,574)
WAY-616062

>  <CNC_ID> (1,574)
359321147

>  <transfer_container_id> (1,574)
PTN000000065

>  <COMPOUND_NUMBER> (1,574)
WAY-616062

>  <BAR_CODE_NO> (1,574)
90450041

>  <LOCATION_CODE> (1,574)
PTNCS

>  <AMOUNT_CURRENT> (1,574)
32.3

$$$$
WAY-623457
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.4250    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    3.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -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  5  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  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  2  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  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 16  1  0  0  0  0
 18  6  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
  6  3  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,575)
1575

>  <Formula> (1,575)
C14H15N3O2S

>  <MolWeight> (1,575)
289.3528

>  <PCAT_CMPD_ID> (1,575)
WAY-623457

>  <CNC_ID> (1,575)
359322078

>  <transfer_container_id> (1,575)
PTN000000065

>  <COMPOUND_NUMBER> (1,575)
WAY-623457

>  <BAR_CODE_NO> (1,575)
90457626

>  <LOCATION_CODE> (1,575)
PTNCS

>  <AMOUNT_CURRENT> (1,575)
32.7

$$$$
WAY-623751
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.3417   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5917   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    3.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.5167    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
    0.2792   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.1708    0.0000 N   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
   -1.5958    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    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  9  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 10  2  0  0  0  0
 10 23  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  2  2  0  0  0  0
 17  6  2  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  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
 24 13  1  0  0  0  0
 25 12  1  0  0  0  0
 26 11  1  0  0  0  0
 27 14  1  0  0  0  0
 28 24  2  0  0  0  0
 29 26  2  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
 12  7  1  0  0  0  0
 19 20  2  0  0  0  0
 25 30  2  0  0  0  0
 14  5  1  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,576)
1576

>  <Formula> (1,576)
C25H23N3O3

>  <MolWeight> (1,576)
413.46842

>  <PCAT_CMPD_ID> (1,576)
WAY-623751

>  <CNC_ID> (1,576)
359322371

>  <transfer_container_id> (1,576)
PTN000000065

>  <COMPOUND_NUMBER> (1,576)
WAY-623751

>  <BAR_CODE_NO> (1,576)
90457922

>  <LOCATION_CODE> (1,576)
PTNCS

>  <AMOUNT_CURRENT> (1,576)
32.4

$$$$
WAY-642423
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2667   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    2.3583    0.0000 C   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
    1.1792    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    3.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    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  2  2  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10 14  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15 20  2  0  0  0  0
 16 10  2  0  0  0  0
 17  1  1  0  0  0  0
 18  9  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  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 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  3  6  1  0  0  0  0
 15 19  1  0  0  0  0
 12  8  1  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,577)
1577

>  <Formula> (1,577)
C20H19N5OS

>  <MolWeight> (1,577)
377.46276

>  <PCAT_CMPD_ID> (1,577)
WAY-642423

>  <CNC_ID> (1,577)
359324161

>  <transfer_container_id> (1,577)
PTN000000065

>  <COMPOUND_NUMBER> (1,577)
WAY-642423

>  <BAR_CODE_NO> (1,577)
90476983

>  <LOCATION_CODE> (1,577)
PTNCS

>  <AMOUNT_CURRENT> (1,577)
32.9

$$$$
WAY-643997
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.3500    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    2.7708    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
   -2.7833   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -3.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    3.5875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    1.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -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 19  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  1  1  0  0  0  0
  8  7  2  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  1  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  2  0  0  0  0
 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
 19 24  1  0  0  0  0
 20 14  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  1  0  0  0  0
 23 17  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 21  2  0  0  0  0
  8  6  1  0  0  0  0
  9 13  2  0  0  0  0
 11 10  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,578)
1578

>  <Formula> (1,578)
C18H14Cl2N4O2S

>  <MolWeight> (1,578)
421.30036

>  <PCAT_CMPD_ID> (1,578)
WAY-643997

>  <CNC_ID> (1,578)
359325736

>  <transfer_container_id> (1,578)
PTN000000065

>  <COMPOUND_NUMBER> (1,578)
WAY-643997

>  <BAR_CODE_NO> (1,578)
90478572

>  <LOCATION_CODE> (1,578)
PTNCS

>  <AMOUNT_CURRENT> (1,578)
32.4

$$$$
WAY-643941
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.9792    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667    0.6333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667    1.1208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.2833    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  7  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 16  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 12  2  0  0  0  0
 18  4  2  0  0  0  0
 19 10  2  0  0  0  0
 20  8  2  0  0  0  0
 21 14  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 13  2  0  0  0  0
 26 11  1  0  0  0  0
 27 13  1  0  0  0  0
 28 26  2  0  0  0  0
 29  2  1  0  0  0  0
 30  9  1  0  0  0  0
 31 29  2  0  0  0  0
 32 31  1  0  0  0  0
  6 11  2  0  0  0  0
 17 28  1  0  0  0  0
 32 30  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,579)
1579

>  <Formula> (1,579)
C21H14F2N2O7

>  <MolWeight> (1,579)
444.3418664

>  <PCAT_CMPD_ID> (1,579)
WAY-643941

>  <CNC_ID> (1,579)
359325680

>  <transfer_container_id> (1,579)
PTN000000065

>  <COMPOUND_NUMBER> (1,579)
WAY-643941

>  <BAR_CODE_NO> (1,579)
90478515

>  <LOCATION_CODE> (1,579)
PTNCS

>  <AMOUNT_CURRENT> (1,579)
32.6

$$$$
WAY-643617
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9625   -0.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.7417    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
    1.7667   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    3.8083    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
   -0.6125   -3.1417    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
    1.2542   -2.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -3.9250    0.0000 Cl  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  8  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  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14 11  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 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 23  1  0  0  0  0
 21  1  1  0  0  0  0
 22 11  1  0  0  0  0
 23 13  2  0  0  0  0
 24 20  1  0  0  0  0
  3  5  2  0  0  0  0
 20 14  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,580)
1580

>  <Formula> (1,580)
C14H11ClFN3O3S2

>  <MolWeight> (1,580)
387.8368432

>  <PCAT_CMPD_ID> (1,580)
WAY-643617

>  <CNC_ID> (1,580)
359325355

>  <transfer_container_id> (1,580)
PTN000000065

>  <COMPOUND_NUMBER> (1,580)
WAY-643617

>  <BAR_CODE_NO> (1,580)
90478189

>  <LOCATION_CODE> (1,580)
PTNCS

>  <AMOUNT_CURRENT> (1,580)
32.1

$$$$
WAY-330170
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.8500   -5.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250   -4.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875   -4.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -3.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -2.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -6.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7750   -3.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.9500    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  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11 18  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14  3  1  0  0  0  0
 15  2  2  0  0  0  0
 16  2  2  0  0  0  0
 17 10  1  0  0  0  0
 18 26  1  0  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
 21 14  2  0  0  0  0
 22  5  2  0  0  0  0
 23  7  2  0  0  0  0
 24 11  2  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
 27 11  1  0  0  0  0
 28  7  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
  6 17  1  0  0  0  0
 12  8  2  0  0  0  0
 25 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,581)
1581

>  <Formula> (1,581)
C21H28N2O6S

>  <MolWeight> (1,581)
436.52182

>  <PCAT_CMPD_ID> (1,581)
WAY-330170

>  <CNC_ID> (1,581)
359317534

>  <transfer_container_id> (1,581)
PTN000000065

>  <COMPOUND_NUMBER> (1,581)
WAY-330170

>  <BAR_CODE_NO> (1,581)
305171

>  <LOCATION_CODE> (1,581)
PTNCS

>  <AMOUNT_CURRENT> (1,581)
32.5

$$$$
WAY-624084
csChFnd80/11182011152D

 28 29  0  0  0  0  0  0  0  0999 V2000
   -0.1875   -0.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    3.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -2.6667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -1.6917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -0.0917    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  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 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10  1  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
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20  4  1  0  0  0  0
 21  3  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 26  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 25 12  2  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,582)
1582

>  <Formula> (1,582)
C19H23F3N2O3S

>  <MolWeight> (1,582)
416.4577296

>  <PCAT_CMPD_ID> (1,582)
WAY-624084

>  <CNC_ID> (1,582)
359322704

>  <transfer_container_id> (1,582)
PTN000000065

>  <COMPOUND_NUMBER> (1,582)
WAY-624084

>  <BAR_CODE_NO> (1,582)
90458258

>  <LOCATION_CODE> (1,582)
PTNCS

>  <AMOUNT_CURRENT> (1,582)
32.2

$$$$
WAY-332835
csChFnd80/11182011152D

 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
    9.5292   -4.6542    0.0000 C   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
    7.9375   -4.6542    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
   10.3250   -3.2792    0.0000 C   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
    7.1500   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -6.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -0.5250    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  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  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 11  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 17  1  0  0  0  0
  3  5  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,583)
1583

>  <Formula> (1,583)
C16H15N3O

>  <MolWeight> (1,583)
265.3098

>  <PCAT_CMPD_ID> (1,583)
WAY-332835

>  <CNC_ID> (1,583)
359331371

>  <transfer_container_id> (1,583)
PTN000000067

>  <COMPOUND_NUMBER> (1,583)
WAY-332835

>  <BAR_CODE_NO> (1,583)
307836

>  <LOCATION_CODE> (1,583)
PTNCS

>  <AMOUNT_CURRENT> (1,583)
32.5

$$$$
WAY-332838
csChFnd80/11182011152D

 21 23  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
    7.1500   -3.2792    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
    5.5542   -3.2792    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
    9.5292   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -4.6542    0.0000 C   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
    4.7625   -4.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -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  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 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  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21 11  1  0  0  0  0
  3  5  1  0  0  0  0
 15 16  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,584)
1584

>  <Formula> (1,584)
C16H13N3O2

>  <MolWeight> (1,584)
279.29332

>  <PCAT_CMPD_ID> (1,584)
WAY-332838

>  <CNC_ID> (1,584)
359331374

>  <transfer_container_id> (1,584)
PTN000000067

>  <COMPOUND_NUMBER> (1,584)
WAY-332838

>  <BAR_CODE_NO> (1,584)
307839

>  <LOCATION_CODE> (1,584)
PTNCS

>  <AMOUNT_CURRENT> (1,584)
32.5

$$$$
WAY-616539
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.3250    0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.0250    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
   -1.2417   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7458   -0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2542    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2542    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375    1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542    1.9042    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
   -1.8542   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -0.9292    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  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9  6  2  0  0  0  0
 10  2  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 24  1  0  0  0  0
 15 20  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  6  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21  8  2  0  0  0  0
 22 13  1  0  0  0  0
 23 10  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 12  1  0  0  0  0
 28 22  1  0  0  0  0
  5  2  1  0  0  0  0
 11 14  2  0  0  0  0
 17 19  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,585)
1585

>  <Formula> (1,585)
C20H19NO7

>  <MolWeight> (1,585)
385.36736

>  <PCAT_CMPD_ID> (1,585)
WAY-616539

>  <CNC_ID> (1,585)
359321625

>  <transfer_container_id> (1,585)
PTN000000065

>  <COMPOUND_NUMBER> (1,585)
WAY-616539

>  <BAR_CODE_NO> (1,585)
90450531

>  <LOCATION_CODE> (1,585)
PTNCS

>  <AMOUNT_CURRENT> (1,585)
32.8

$$$$
WAY-330708
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
   11.9750   -8.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -7.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -9.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875   -7.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500   -9.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7708   -7.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -6.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4125   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000   -5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -6.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000   -9.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -4.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -8.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -9.5125    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  2  2  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 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 15  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 11  1  0  0  0  0
 17  8  2  0  0  0  0
 18 16  2  0  0  0  0
 19 12  2  0  0  0  0
 20  7  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 23  6  1  0  0  0  0
 24 12  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 16  1  0  0  0  0
 30 24  1  0  0  0  0
 31 30  1  0  0  0  0
  5  6  1  0  0  0  0
  9 25  1  0  0  0  0
 27 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,586)
1586

>  <Formula> (1,586)
C21H28N4O5S

>  <MolWeight> (1,586)
448.53582

>  <PCAT_CMPD_ID> (1,586)
WAY-330708

>  <CNC_ID> (1,586)
359318063

>  <transfer_container_id> (1,586)
PTN000000065

>  <COMPOUND_NUMBER> (1,586)
WAY-330708

>  <BAR_CODE_NO> (1,586)
305709

>  <LOCATION_CODE> (1,586)
PTNCS

>  <AMOUNT_CURRENT> (1,586)
32.5

$$$$
WAY-623980
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5333    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.4833    0.0000 C   0  0  0  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 10  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  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  7  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17  5  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  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
 24 23  1  0  0  0  0
 12 14  1  0  0  0  0
 24 19  2  0  0  0  0
  4  6  2  0  0  0  0
M  END
>  <Mol_ID> (1,587)
1587

>  <Formula> (1,587)
C19H21NO4

>  <MolWeight> (1,587)
327.37434

>  <PCAT_CMPD_ID> (1,587)
WAY-623980

>  <CNC_ID> (1,587)
359322600

>  <transfer_container_id> (1,587)
PTN000000065

>  <COMPOUND_NUMBER> (1,587)
WAY-623980

>  <BAR_CODE_NO> (1,587)
90458154

>  <LOCATION_CODE> (1,587)
PTNCS

>  <AMOUNT_CURRENT> (1,587)
32.8

$$$$
WAY-330812
csChFnd80/11182011152D

 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
    6.2500   -2.4875    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
    6.8125   -3.4625    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
    7.9500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -1.5000    0.0000 C   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   -1.5000    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
    5.1125   -2.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -0.5250    0.0000 O   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
   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
    6.8125    0.4500    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 12  1  0  0  0  0
  8  5  2  0  0  0  0
  9 19  2  0  0  0  0
 10 13  2  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 17  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 16  1  0  0  0  0
 18 22  2  0  0  0  0
 19  5  1  0  0  0  0
 20  4  2  0  0  0  0
 21  7  2  0  0  0  0
 22 25  1  0  0  0  0
 23  2  1  0  0  0  0
 24 10  1  0  0  0  0
 25 17  2  0  0  0  0
 26 18  1  0  0  0  0
 27  6  1  0  0  0  0
 28  4  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
  6  3  2  0  0  0  0
 29 23  1  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,588)
1588

>  <Formula> (1,588)
C21H23ClN2O5S

>  <MolWeight> (1,588)
450.93572

>  <PCAT_CMPD_ID> (1,588)
WAY-330812

>  <CNC_ID> (1,588)
359318167

>  <transfer_container_id> (1,588)
PTN000000065

>  <COMPOUND_NUMBER> (1,588)
WAY-330812

>  <BAR_CODE_NO> (1,588)
305813

>  <LOCATION_CODE> (1,588)
PTNCS

>  <AMOUNT_CURRENT> (1,588)
32.5

$$$$
WAY-616725
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3958    1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3917    1.6333    0.0000 C   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
   -0.2000   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.8042    0.0000 O   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
    1.4583    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417   -3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.4583    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 11  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  2  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  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  7  1  0  0  0  0
 19  9  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
  8  7  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,589)
1589

>  <Formula> (1,589)
C16H17NO5

>  <MolWeight> (1,589)
303.30988

>  <PCAT_CMPD_ID> (1,589)
WAY-616725

>  <CNC_ID> (1,589)
359321811

>  <transfer_container_id> (1,589)
PTN000000065

>  <COMPOUND_NUMBER> (1,589)
WAY-616725

>  <BAR_CODE_NO> (1,589)
90450719

>  <LOCATION_CODE> (1,589)
PTNCS

>  <AMOUNT_CURRENT> (1,589)
33

$$$$
WAY-641987
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.7583   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    0.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5250    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125    0.5833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.3458    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  9  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 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 20  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
 21  3  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  6  1  0  0  0  0
 26 22  1  0  0  0  0
 27 17  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
  2  5  1  0  0  0  0
 27 29  1  0  0  0  0
  7  8  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,590)
1590

>  <Formula> (1,590)
C21H22FN3O3S

>  <MolWeight> (1,590)
415.4810832

>  <PCAT_CMPD_ID> (1,590)
WAY-641987

>  <CNC_ID> (1,590)
359323725

>  <transfer_container_id> (1,590)
PTN000000065

>  <COMPOUND_NUMBER> (1,590)
WAY-641987

>  <BAR_CODE_NO> (1,590)
90476541

>  <LOCATION_CODE> (1,590)
PTNCS

>  <AMOUNT_CURRENT> (1,590)
32.8

$$$$
WAY-330689
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.6875   -8.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9375   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250   -8.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5750   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8375   -9.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -6.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8375   -5.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -7.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -9.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -9.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -5.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -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  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  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  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 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  2  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20  3  1  0  0  0  0
 21 18  2  0  0  0  0
 22 15  1  0  0  0  0
 23 27  1  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 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 26  1  0  0  0  0
  4  6  1  0  0  0  0
  9 23  1  0  0  0  0
 19 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,591)
1591

>  <Formula> (1,591)
C19H26N4O5S

>  <MolWeight> (1,591)
422.49854

>  <PCAT_CMPD_ID> (1,591)
WAY-330689

>  <CNC_ID> (1,591)
359318044

>  <transfer_container_id> (1,591)
PTN000000065

>  <COMPOUND_NUMBER> (1,591)
WAY-330689

>  <BAR_CODE_NO> (1,591)
305690

>  <LOCATION_CODE> (1,591)
PTNCS

>  <AMOUNT_CURRENT> (1,591)
32.5

$$$$
WAY-332391
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.8667  -11.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167  -10.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542  -11.1167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1125  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875  -10.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042  -10.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -8.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   -8.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042  -12.2292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0500   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6917   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792  -12.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625  -13.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042  -12.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542  -10.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542  -11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042  -14.4750    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  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  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  2  0  0  0  0
 11  2  2  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
  4 16  1  6  0  0  0
 17 12  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20  6  2  0  0  0  0
 21  7  2  0  0  0  0
 22 16  1  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
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  1  0  0  0  0
  6  7  1  0  0  0  0
 26 27  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,592)
1592

>  <Formula> (1,592)
C22H26N2O4

>  <MolWeight> (1,592)
382.45284

>  <PCAT_CMPD_ID> (1,592)
WAY-332391

>  <CNC_ID> (1,592)
359330927

>  <transfer_container_id> (1,592)
PTN000000067

>  <COMPOUND_NUMBER> (1,592)
WAY-332391

>  <BAR_CODE_NO> (1,592)
307394

>  <LOCATION_CODE> (1,592)
PTNCS

>  <AMOUNT_CURRENT> (1,592)
32.5

$$$$
WAY-623977
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.1500    2.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.9958    0.0000 N   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
    0.8667    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.7083    0.0000 S   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
   -1.2708    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    3.1458    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  5  1  0  0  0  0
  5  2  2  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 11  2  0  0  0  0
 10  1  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 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16  7  2  0  0  0  0
 17 12  2  0  0  0  0
 18  6  2  0  0  0  0
 19 15  1  0  0  0  0
 20 10  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 16  1  0  0  0  0
 24 15  1  0  0  0  0
 25 19  1  0  0  0  0
 26 23  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
  9  8  1  0  0  0  0
 28 24  2  0  0  0  0
  7  4  1  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,593)
1593

>  <Formula> (1,593)
C21H20N4O2S

>  <MolWeight> (1,593)
392.4741

>  <PCAT_CMPD_ID> (1,593)
WAY-623977

>  <CNC_ID> (1,593)
359322597

>  <transfer_container_id> (1,593)
PTN000000065

>  <COMPOUND_NUMBER> (1,593)
WAY-623977

>  <BAR_CODE_NO> (1,593)
90458151

>  <LOCATION_CODE> (1,593)
PTNCS

>  <AMOUNT_CURRENT> (1,593)
32.9

$$$$
WAY-333361
csChFnd80/11182011152D

 25 28  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
   -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
   -4.2958    8.1417    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
   -0.6625    9.7375    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
   -8.6292    4.1292    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
   -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
   -6.7917    0.4875    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
  -10.8625    3.6708    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
    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
  -12.3750    5.3667    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
   -3.4375   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  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  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  2  0  0  0  0
 12  9  2  0  0  0  0
 13  6  1  0  0  0  0
 14  2  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  9  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
  3  8  1  0  0  0  0
 23 17  2  0  0  0  0
 12 20  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,594)
1594

>  <Formula> (1,594)
C21H20N2O2

>  <MolWeight> (1,594)
332.3957

>  <PCAT_CMPD_ID> (1,594)
WAY-333361

>  <CNC_ID> (1,594)
359331895

>  <transfer_container_id> (1,594)
PTN000000067

>  <COMPOUND_NUMBER> (1,594)
WAY-333361

>  <BAR_CODE_NO> (1,594)
308362

>  <LOCATION_CODE> (1,594)
PTNCS

>  <AMOUNT_CURRENT> (1,594)
32.5

$$$$
WAY-643352
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.7667    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5208    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -1.5167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.2792    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  3  2  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  4  1  0  0  0  0
  9 17  2  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  1  1  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22  5  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25  6  1  0  0  0  0
 26 21  1  0  0  0  0
 16 11  2  0  0  0  0
  7  4  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,595)
1595

>  <Formula> (1,595)
C20H22ClNO4

>  <MolWeight> (1,595)
375.84598

>  <PCAT_CMPD_ID> (1,595)
WAY-643352

>  <CNC_ID> (1,595)
359325090

>  <transfer_container_id> (1,595)
PTN000000065

>  <COMPOUND_NUMBER> (1,595)
WAY-643352

>  <BAR_CODE_NO> (1,595)
90477923

>  <LOCATION_CODE> (1,595)
PTNCS

>  <AMOUNT_CURRENT> (1,595)
32.5

$$$$
WAY-278430
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.9708    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -0.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4833    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.1042    0.0000 O   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
   -2.4333    1.1958    0.0000 O   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
   -1.0333    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    2.0500    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
    1.3792    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -0.4375    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  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  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 14  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 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 21  2  0  0  0  0
  2  4  1  0  0  0  0
 20 25  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,596)
1596

>  <Formula> (1,596)
C20H20N2O3

>  <MolWeight> (1,596)
336.3844

>  <PCAT_CMPD_ID> (1,596)
WAY-278430

>  <CNC_ID> (1,596)
359327150

>  <transfer_container_id> (1,596)
PTN000000067

>  <COMPOUND_NUMBER> (1,596)
WAY-278430

>  <BAR_CODE_NO> (1,596)
389085

>  <LOCATION_CODE> (1,596)
PTNCS

>  <AMOUNT_CURRENT> (1,596)
32.5

$$$$
WAY-333740
csChFnd80/11182011152D

 23 26  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
  -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
   -6.4542    7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    7.5667    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
   -6.4667    6.0292    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
  -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
   -5.1583    5.2417    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
  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  5  2  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 22  1  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
  7  9  2  0  0  0  0
  5  6  1  0  0  0  0
 21 23  2  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,597)
1597

>  <Formula> (1,597)
C17H13N5O

>  <MolWeight> (1,597)
303.31802

>  <PCAT_CMPD_ID> (1,597)
WAY-333740

>  <CNC_ID> (1,597)
359332273

>  <transfer_container_id> (1,597)
PTN000000067

>  <COMPOUND_NUMBER> (1,597)
WAY-333740

>  <BAR_CODE_NO> (1,597)
308741

>  <LOCATION_CODE> (1,597)
PTNCS

>  <AMOUNT_CURRENT> (1,597)
32.5

$$$$
WAY-329202
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.5091   -0.1298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5091   -1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716   -2.1298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716    0.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8216   -0.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8216   -1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716   -3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534    0.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5133   -4.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6659    1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159    2.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534   -2.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716    1.8785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    5.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0784    6.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341   -5.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8284    3.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6242   -3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9159    6.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742    7.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409    7.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9742    1.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6242   -6.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909    4.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758    0.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784   -4.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784   -5.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758   -2.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -6.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284   -3.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1466   -0.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1466   -1.4590    0.0000 C   0  0  0  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  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  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 14  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  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 11  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25  5  2  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 28  6  2  0  0  0  0
 29 16  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  2  0  0  0  0
  3  6  1  0  0  0  0
 28 32  1  0  0  0  0
 27 23  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,598)
1598

>  <Formula> (1,598)
C25H25N3O4

>  <MolWeight> (1,598)
431.4837

>  <PCAT_CMPD_ID> (1,598)
WAY-329202

>  <CNC_ID> (1,598)
359316570

>  <transfer_container_id> (1,598)
PTN000000065

>  <COMPOUND_NUMBER> (1,598)
WAY-329202

>  <BAR_CODE_NO> (1,598)
304203

>  <LOCATION_CODE> (1,598)
PTNCS

>  <AMOUNT_CURRENT> (1,598)
32.5

$$$$
WAY-330074
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8363    2.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    0.6936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6283    2.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6283    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4223    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    2.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4223    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8932    1.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6283    4.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    4.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1116    2.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5714    3.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7899    4.0990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1345    3.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3238    1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3801    4.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5339    2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4120    3.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9811    0.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6936    0.0000 C   0  0  0  0  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  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  2  0  0  0  0
 14 11  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  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 16  2  0  0  0  0
 26 25  1  0  0  0  0
  4 10  1  0  0  0  0
 24 26  2  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,599)
1599

>  <Formula> (1,599)
C18H16ClN3O4

>  <MolWeight> (1,599)
373.79034

>  <PCAT_CMPD_ID> (1,599)
WAY-330074

>  <CNC_ID> (1,599)
359317439

>  <transfer_container_id> (1,599)
PTN000000065

>  <COMPOUND_NUMBER> (1,599)
WAY-330074

>  <BAR_CODE_NO> (1,599)
305075

>  <LOCATION_CODE> (1,599)
PTNCS

>  <AMOUNT_CURRENT> (1,599)
32.5

$$$$
WAY-643720
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.2958    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.7458    0.0000 C   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
    0.4917    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    4.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.6542    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
    1.1625    4.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -2.4917    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  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  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 14  2  0  0  0  0
 12  7  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  2  0  0  0  0
 20  6  2  0  0  0  0
 21  3  1  0  0  0  0
 22  5  1  0  0  0  0
 23 12  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  1  0  0  0  0
 26 27  1  0  0  0  0
 27 25  2  0  0  0  0
  4  2  1  0  0  0  0
 15 18  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,600)
1600

>  <Formula> (1,600)
C21H22N2O3S

>  <MolWeight> (1,600)
382.47598

>  <PCAT_CMPD_ID> (1,600)
WAY-643720

>  <CNC_ID> (1,600)
359325458

>  <transfer_container_id> (1,600)
PTN000000065

>  <COMPOUND_NUMBER> (1,600)
WAY-643720

>  <BAR_CODE_NO> (1,600)
90478292

>  <LOCATION_CODE> (1,600)
PTNCS

>  <AMOUNT_CURRENT> (1,600)
32.3

$$$$
WAY-330569
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.5917   -4.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5917   -5.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8750   -4.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3750   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -5.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -4.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8792   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    0.2708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9375   -5.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -7.2167    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  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 20  2  0  0  0  0
 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18 12  1  0  0  0  0
 19 22  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  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 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
  5  9  1  0  0  0  0
  8  7  1  0  0  0  0
 10 11  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,601)
1601

>  <Formula> (1,601)
C20H21FN2O5

>  <MolWeight> (1,601)
388.3895432

>  <PCAT_CMPD_ID> (1,601)
WAY-330569

>  <CNC_ID> (1,601)
359317924

>  <transfer_container_id> (1,601)
PTN000000065

>  <COMPOUND_NUMBER> (1,601)
WAY-330569

>  <BAR_CODE_NO> (1,601)
305570

>  <LOCATION_CODE> (1,601)
PTNCS

>  <AMOUNT_CURRENT> (1,601)
32.5

$$$$
WAY-332143
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.5542   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1167   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    2.0458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    1.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    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  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  9  1  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  5  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 17  8  1  0  0  0  0
 18 10  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 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
  6  5  1  0  0  0  0
 23 21  1  0  0  0  0
  8 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,602)
1602

>  <Formula> (1,602)
C19H22ClNO4

>  <MolWeight> (1,602)
363.83528

>  <PCAT_CMPD_ID> (1,602)
WAY-332143

>  <CNC_ID> (1,602)
359330682

>  <transfer_container_id> (1,602)
PTN000000067

>  <COMPOUND_NUMBER> (1,602)
WAY-332143

>  <BAR_CODE_NO> (1,602)
307144

>  <LOCATION_CODE> (1,602)
PTNCS

>  <AMOUNT_CURRENT> (1,602)
32.5

$$$$
WAY-329501
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -4.4083    5.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500    9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   11.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417    6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2167    8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667    8.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042    9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    8.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625    5.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625    9.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8792    6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8792    8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    5.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    6.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    9.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    9.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292    8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6958    9.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6958    5.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   14.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    5.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042    6.5000    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 12  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  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13 20  1  0  0  0  0
 14  5  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
 18  2  2  0  0  0  0
 19 13  2  0  0  0  0
 20 22  1  0  0  0  0
 21  6  1  0  0  0  0
 22 21  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  2  0  0  0  0
 25 11  1  0  0  0  0
 26 12  2  0  0  0  0
 27 17  1  0  0  0  0
 28 16  1  0  0  0  0
 29 23  2  0  0  0  0
 30 24  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  2  0  0  0  0
  7  6  2  0  0  0  0
 17 15  1  0  0  0  0
 11  4  1  0  0  0  0
 32 26  1  0  0  0  0
 31 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,603)
1603

>  <Formula> (1,603)
C27H24N2O3

>  <MolWeight> (1,603)
424.49106

>  <PCAT_CMPD_ID> (1,603)
WAY-329501

>  <CNC_ID> (1,603)
359316869

>  <transfer_container_id> (1,603)
PTN000000065

>  <COMPOUND_NUMBER> (1,603)
WAY-329501

>  <BAR_CODE_NO> (1,603)
304502

>  <LOCATION_CODE> (1,603)
PTNCS

>  <AMOUNT_CURRENT> (1,603)
32.5

$$$$
WAY-329532
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.7458    5.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708    9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292    9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   10.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   13.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6083    5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   12.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   12.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2542   15.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4000   13.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    5.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9292    6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792    9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6083   10.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042   10.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5333    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5333    9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   10.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4667    5.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3917    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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 21  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  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  2  2  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19  6  2  0  0  0  0
 20 18  1  0  0  0  0
 21 25  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 24  3  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
  5  3  2  0  0  0  0
 23 19  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,604)
1604

>  <Formula> (1,604)
C20H18N2O5

>  <MolWeight> (1,604)
366.36732

>  <PCAT_CMPD_ID> (1,604)
WAY-329532

>  <CNC_ID> (1,604)
359316900

>  <transfer_container_id> (1,604)
PTN000000065

>  <COMPOUND_NUMBER> (1,604)
WAY-329532

>  <BAR_CODE_NO> (1,604)
304533

>  <LOCATION_CODE> (1,604)
PTNCS

>  <AMOUNT_CURRENT> (1,604)
32.5

$$$$
WAY-330760
csChFnd80/11182011152D

 30 33  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
    9.9000   -5.2750    0.0000 O   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
   11.0125   -1.4375    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
    9.3625   -2.4000    0.0000 C   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
    8.2375   -6.2250    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
    6.0250   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -8.1500    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
    4.9250   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -9.1125    0.0000 C   0  0  0  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  8  2  0  0  0  0
 19 12  1  0  0  0  0
 20  4  1  0  0  0  0
 21 25  2  0  0  0  0
 22 28  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 21  1  0  0  0  0
 28 20  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 10 22  1  0  0  0  0
 17  6  1  0  0  0  0
  9  7  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,605)
1605

>  <Formula> (1,605)
C20H22N4O4S2

>  <MolWeight> (1,605)
446.54308

>  <PCAT_CMPD_ID> (1,605)
WAY-330760

>  <CNC_ID> (1,605)
359318115

>  <transfer_container_id> (1,605)
PTN000000065

>  <COMPOUND_NUMBER> (1,605)
WAY-330760

>  <BAR_CODE_NO> (1,605)
305761

>  <LOCATION_CODE> (1,605)
PTNCS

>  <AMOUNT_CURRENT> (1,605)
32.5

$$$$
WAY-329527
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2700    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2700    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312    0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8439    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6033    2.2298    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4799    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4842    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5430    3.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    0.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8567    4.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4799    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6898    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6989    0.0000 C   0  0  0  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  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8 17  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  2  0  0  0  0
 11  2  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 10  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
 23 22  1  0  0  0  0
  5  3  2  0  0  0  0
 19 16  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,606)
1606

>  <Formula> (1,606)
C17H16N2O3S

>  <MolWeight> (1,606)
328.38554

>  <PCAT_CMPD_ID> (1,606)
WAY-329527

>  <CNC_ID> (1,606)
359316895

>  <transfer_container_id> (1,606)
PTN000000065

>  <COMPOUND_NUMBER> (1,606)
WAY-329527

>  <BAR_CODE_NO> (1,606)
304528

>  <LOCATION_CODE> (1,606)
PTNCS

>  <AMOUNT_CURRENT> (1,606)
32.5

$$$$
WAY-331327
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.5250  -12.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -9.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250  -13.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -9.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -8.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -7.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125  -13.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125  -12.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500  -10.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375  -11.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125  -12.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -8.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125  -12.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125  -10.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958  -13.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000  -13.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000  -13.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.3500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000  -14.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000  -12.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -14.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -12.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250  -14.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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> (1,607)
1607

>  <Formula> (1,607)
C16H15FN4O3S2

>  <MolWeight> (1,607)
394.4437032

>  <PCAT_CMPD_ID> (1,607)
WAY-331327

>  <CNC_ID> (1,607)
359318682

>  <transfer_container_id> (1,607)
PTN000000065

>  <COMPOUND_NUMBER> (1,607)
WAY-331327

>  <BAR_CODE_NO> (1,607)
306328

>  <LOCATION_CODE> (1,607)
PTNCS

>  <AMOUNT_CURRENT> (1,607)
32.5

$$$$
WAY-331320
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.0750  -13.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375  -14.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250  -10.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6500   -8.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -8.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625  -14.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000  -12.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375  -14.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250  -13.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -9.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625  -12.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625  -13.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250  -12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750  -10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375  -11.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9625   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  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 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  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 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,608)
1608

>  <Formula> (1,608)
C17H18N4O3S2

>  <MolWeight> (1,608)
390.47982

>  <PCAT_CMPD_ID> (1,608)
WAY-331320

>  <CNC_ID> (1,608)
359318675

>  <transfer_container_id> (1,608)
PTN000000065

>  <COMPOUND_NUMBER> (1,608)
WAY-331320

>  <BAR_CODE_NO> (1,608)
306321

>  <LOCATION_CODE> (1,608)
PTNCS

>  <AMOUNT_CURRENT> (1,608)
32.5

$$$$
WAY-642489
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.9875    1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    2.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5125   -2.5750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4708   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.2875    0.0000 C   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
   -3.1333    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.5250    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 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  2  0  0  0  0
 10  1  1  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 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  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  8  2  0  0  0  0
 21  6  2  0  0  0  0
 22  7  2  0  0  0  0
 23 15  1  0  0  0  0
 24  5  1  0  0  0  0
 25  4  1  0  0  0  0
 26  9  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
  3  9  1  0  0  0  0
 28 26  2  0  0  0  0
 23 14  1  0  0  0  0
 19  5  1  0  0  0  0
 18  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,609)
1609

>  <Formula> (1,609)
C21H24N2O5

>  <MolWeight> (1,609)
384.42566

>  <PCAT_CMPD_ID> (1,609)
WAY-642489

>  <CNC_ID> (1,609)
359324227

>  <transfer_container_id> (1,609)
PTN000000065

>  <COMPOUND_NUMBER> (1,609)
WAY-642489

>  <BAR_CODE_NO> (1,609)
90477049

>  <LOCATION_CODE> (1,609)
PTNCS

>  <AMOUNT_CURRENT> (1,609)
32.4

$$$$
WAY-623759
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.1625   -2.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    0.9208    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
    1.8792   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.5375    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
    1.8792   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    2.1625    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  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6 14  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  1  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  9  2  0  0  0  0
 14 15  2  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  2  0  0  0  0
 18  9  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 10  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
 29 20  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 28  2  0  0  0  0
 33 29  2  0  0  0  0
  6  2  2  0  0  0  0
 19 27  1  0  0  0  0
 20 16  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,610)
1610

>  <Formula> (1,610)
C25H29N3O4S

>  <MolWeight> (1,610)
467.58046

>  <PCAT_CMPD_ID> (1,610)
WAY-623759

>  <CNC_ID> (1,610)
359322379

>  <transfer_container_id> (1,610)
PTN000000065

>  <COMPOUND_NUMBER> (1,610)
WAY-623759

>  <BAR_CODE_NO> (1,610)
90457930

>  <LOCATION_CODE> (1,610)
PTNCS

>  <AMOUNT_CURRENT> (1,610)
32.7

$$$$
WAY-643397
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3458   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    3.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    3.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -4.4875    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 10  1  0  0  0  0
  6  3  2  0  0  0  0
  7 11  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 13  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 18  9  2  0  0  0  0
 19 10  2  0  0  0  0
 20  4  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 14  1  0  0  0  0
 25 14  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
  2  6  1  0  0  0  0
 30 29  1  0  0  0  0
  7 12  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,611)
1611

>  <Formula> (1,611)
C22H20N4O4

>  <MolWeight> (1,611)
404.4186

>  <PCAT_CMPD_ID> (1,611)
WAY-643397

>  <CNC_ID> (1,611)
359325135

>  <transfer_container_id> (1,611)
PTN000000065

>  <COMPOUND_NUMBER> (1,611)
WAY-643397

>  <BAR_CODE_NO> (1,611)
90477969

>  <LOCATION_CODE> (1,611)
PTNCS

>  <AMOUNT_CURRENT> (1,611)
32.2

$$$$
WAY-624696
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.8667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.5792    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.9917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5792    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    2.7208    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
   -0.2833    1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    2.7208    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 17  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  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  2  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18 22  1  0  0  0  0
 19  9  1  0  0  0  0
 20  6  2  0  0  0  0
 21  8  2  0  0  0  0
 22 16  1  0  0  0  0
 23 28  1  0  0  0  0
 24  7  1  0  0  0  0
 25  7  1  0  0  0  0
 26 12  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 18  1  0  0  0  0
 30 26  2  0  0  0  0
 31 29  2  0  0  0  0
 19 11  2  0  0  0  0
 23 27  1  0  0  0  0
 18 12  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,612)
1612

>  <Formula> (1,612)
C22H23N3O6

>  <MolWeight> (1,612)
425.43452

>  <PCAT_CMPD_ID> (1,612)
WAY-624696

>  <CNC_ID> (1,612)
359323117

>  <transfer_container_id> (1,612)
PTN000000065

>  <COMPOUND_NUMBER> (1,612)
WAY-624696

>  <BAR_CODE_NO> (1,612)
90458872

>  <LOCATION_CODE> (1,612)
PTNCS

>  <AMOUNT_CURRENT> (1,612)
32.3

$$$$
WAY-643728
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.4875    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.3875    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
    4.3000    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.1125    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  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16  7  1  0  0  0  0
 17 20  2  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 13  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 23 12  1  0  0  0  0
 24 14  1  0  0  0  0
 25 23  1  0  0  0  0
  2  4  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,613)
1613

>  <Formula> (1,613)
C20H23NO4

>  <MolWeight> (1,613)
341.40092

>  <PCAT_CMPD_ID> (1,613)
WAY-643728

>  <CNC_ID> (1,613)
359325466

>  <transfer_container_id> (1,613)
PTN000000065

>  <COMPOUND_NUMBER> (1,613)
WAY-643728

>  <BAR_CODE_NO> (1,613)
90478300

>  <LOCATION_CODE> (1,613)
PTNCS

>  <AMOUNT_CURRENT> (1,613)
32.8

$$$$
WAY-331439
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -9.1542    7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042   10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1667    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5167    5.8542    0.0000 N   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
  -10.7917    5.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1417    3.9208    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
   -5.2083   12.4792    0.0000 C   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
  -11.3625    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
  -13.3542    2.5083    0.0000 O   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
   -6.9375    2.2958    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
  -10.5375    0.4375    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  2  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  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 13  2  0  0  0  0
 20 12  1  0  0  0  0
  3  7  2  0  0  0  0
  9 11  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,614)
1614

>  <Formula> (1,614)
C13H10FN3OS2

>  <MolWeight> (1,614)
307.3664032

>  <PCAT_CMPD_ID> (1,614)
WAY-331439

>  <CNC_ID> (1,614)
359318792

>  <transfer_container_id> (1,614)
PTN000000065

>  <COMPOUND_NUMBER> (1,614)
WAY-331439

>  <BAR_CODE_NO> (1,614)
306440

>  <LOCATION_CODE> (1,614)
PTNCS

>  <AMOUNT_CURRENT> (1,614)
32.5

$$$$
WAY-331462
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
  -10.2667    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3000   11.2542    0.0000 C   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
   -8.4292    6.5625    0.0000 N   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
  -12.1042    6.5750    0.0000 S   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
  -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
   -5.8708   14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7375    2.5625    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
   -4.6958   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9750    2.8083    0.0000 O   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
   -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
   -7.7750    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8125    0.4958    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  2  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  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  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  2  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20 12  1  0  0  0  0
  3  7  2  0  0  0  0
 10 11  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,615)
1615

>  <Formula> (1,615)
C13H10FN3OS2

>  <MolWeight> (1,615)
307.3664032

>  <PCAT_CMPD_ID> (1,615)
WAY-331462

>  <CNC_ID> (1,615)
359318814

>  <transfer_container_id> (1,615)
PTN000000065

>  <COMPOUND_NUMBER> (1,615)
WAY-331462

>  <BAR_CODE_NO> (1,615)
306463

>  <LOCATION_CODE> (1,615)
PTNCS

>  <AMOUNT_CURRENT> (1,615)
32.5

$$$$
WAY-624926
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.2750   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8625   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    0.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    1.3625    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
    1.1750    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    1.0125    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 10  1  0  0  0  0
  5  1  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 24  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 16  2  0  0  0  0
 14  1  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  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  2  1  0  0  0  0
 23 20  1  0  0  0  0
 24 25  2  0  0  0  0
 25 16  1  0  0  0  0
 26 22  1  0  0  0  0
 11  4  1  0  0  0  0
 21 23  2  0  0  0  0
  9  8  2  0  0  0  0
  3  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,616)
1616

>  <Formula> (1,616)
C18H17N3O3S2

>  <MolWeight> (1,616)
387.47588

>  <PCAT_CMPD_ID> (1,616)
WAY-624926

>  <CNC_ID> (1,616)
359323347

>  <transfer_container_id> (1,616)
PTN000000065

>  <COMPOUND_NUMBER> (1,616)
WAY-624926

>  <BAR_CODE_NO> (1,616)
90459106

>  <LOCATION_CODE> (1,616)
PTNCS

>  <AMOUNT_CURRENT> (1,616)
32.1

$$$$
WAY-641954
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.5792    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.9750    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 11  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  1  1  0  0  0  0
 10  4  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  3  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  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 12  1  0  0  0  0
 21 13  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 18  2  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 28  2  0  0  0  0
  5  3  1  0  0  0  0
 24 19  2  0  0  0  0
 13 12  2  0  0  0  0
 27 26  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,617)
1617

>  <Formula> (1,617)
C23H20N4O2S

>  <MolWeight> (1,617)
416.4955

>  <PCAT_CMPD_ID> (1,617)
WAY-641954

>  <CNC_ID> (1,617)
359323692

>  <transfer_container_id> (1,617)
PTN000000065

>  <COMPOUND_NUMBER> (1,617)
WAY-641954

>  <BAR_CODE_NO> (1,617)
90476507

>  <LOCATION_CODE> (1,617)
PTNCS

>  <AMOUNT_CURRENT> (1,617)
32.8

$$$$
WAY-329098
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.5875   -8.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -7.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1625   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625  -11.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -4.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417  -13.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417  -10.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -6.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750  -11.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917  -13.8167    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
    4.8667   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542  -13.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000  -10.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750  -15.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -6.9375    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  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 23  2  0  0  0  0
 15  8  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 10  1  0  0  0  0
 19  4  1  0  0  0  0
 20 15  1  0  0  0  0
 21  9  1  0  0  0  0
 22  5  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 30  2  0  0  0  0
 26 16  2  0  0  0  0
 27 21  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 22  2  0  0  0  0
  5  4  2  0  0  0  0
 29 31  1  0  0  0  0
 17 11  1  0  0  0  0
 25 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,618)
1618

>  <Formula> (1,618)
C24H23N3O4

>  <MolWeight> (1,618)
417.45712

>  <PCAT_CMPD_ID> (1,618)
WAY-329098

>  <CNC_ID> (1,618)
359316463

>  <transfer_container_id> (1,618)
PTN000000065

>  <COMPOUND_NUMBER> (1,618)
WAY-329098

>  <BAR_CODE_NO> (1,618)
304099

>  <LOCATION_CODE> (1,618)
PTNCS

>  <AMOUNT_CURRENT> (1,618)
32.5

$$$$
WAY-642256
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.7458   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.1792    0.0000 C   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
    0.0792    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.8917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5542    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    3.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -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  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  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11 13  1  0  0  0  0
 12  9  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 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  6  1  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 13  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  2  0  0  0  0
 27 20  2  0  0  0  0
  7  6  2  0  0  0  0
 26 27  1  0  0  0  0
 22 25  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,619)
1619

>  <Formula> (1,619)
C21H22N2O3S

>  <MolWeight> (1,619)
382.47598

>  <PCAT_CMPD_ID> (1,619)
WAY-642256

>  <CNC_ID> (1,619)
359323994

>  <transfer_container_id> (1,619)
PTN000000065

>  <COMPOUND_NUMBER> (1,619)
WAY-642256

>  <BAR_CODE_NO> (1,619)
90476813

>  <LOCATION_CODE> (1,619)
PTNCS

>  <AMOUNT_CURRENT> (1,619)
32.3

$$$$
WAY-278856
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.1125   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.2542    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
    0.5167   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -2.4792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.4042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.5458    0.0000 C   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
   -0.7500    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  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  8  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 12  1  0  0  0  0
 14 17  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  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 16  2  0  0  0  0
 21 10  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  6  2  0  0  0  0
 14 18  1  0  0  0  0
 11 13  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,620)
1620

>  <Formula> (1,620)
C17H14BrN3O2S

>  <MolWeight> (1,620)
404.28096

>  <PCAT_CMPD_ID> (1,620)
WAY-278856

>  <CNC_ID> (1,620)
359327576

>  <transfer_container_id> (1,620)
PTN000000067

>  <COMPOUND_NUMBER> (1,620)
WAY-278856

>  <BAR_CODE_NO> (1,620)
389511

>  <LOCATION_CODE> (1,620)
PTNCS

>  <AMOUNT_CURRENT> (1,620)
32.5

$$$$
WAY-641857
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.0125    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.5167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2667   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.1292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7125    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.0250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -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  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  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  9  1  0  0  0  0
 12  8  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 13  2  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 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
  3  5  2  0  0  0  0
 14 16  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,621)
1621

>  <Formula> (1,621)
C15H19ClN4O2

>  <MolWeight> (1,621)
322.78996

>  <PCAT_CMPD_ID> (1,621)
WAY-641857

>  <CNC_ID> (1,621)
359323595

>  <transfer_container_id> (1,621)
PTN000000065

>  <COMPOUND_NUMBER> (1,621)
WAY-641857

>  <BAR_CODE_NO> (1,621)
90476410

>  <LOCATION_CODE> (1,621)
PTNCS

>  <AMOUNT_CURRENT> (1,621)
32.2

$$$$
WAY-642757
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.3125    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    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  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 17  1  0  0  0  0
  8  7  1  0  0  0  0
  9 16  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  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 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  2  0  0  0  0
 21 19  2  0  0  0  0
 22 14  2  0  0  0  0
  4  5  2  0  0  0  0
 20 22  1  0  0  0  0
 18  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,622)
1622

>  <Formula> (1,622)
C16H15N3O3

>  <MolWeight> (1,622)
297.3086

>  <PCAT_CMPD_ID> (1,622)
WAY-642757

>  <CNC_ID> (1,622)
359324495

>  <transfer_container_id> (1,622)
PTN000000065

>  <COMPOUND_NUMBER> (1,622)
WAY-642757

>  <BAR_CODE_NO> (1,622)
90477320

>  <LOCATION_CODE> (1,622)
PTNCS

>  <AMOUNT_CURRENT> (1,622)
32.8

$$$$
WAY-278473
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.9292    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    1.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -1.8875    0.0000 S   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
    3.4875   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -3.5500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.8125    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
   -0.4208    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.8792    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  2  1  0  0  0  0
  5  1  1  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  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  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  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
  4  9  2  0  0  0  0
 19 18  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,623)
1623

>  <Formula> (1,623)
C14H11BrN2O2S2

>  <MolWeight> (1,623)
383.28334

>  <PCAT_CMPD_ID> (1,623)
WAY-278473

>  <CNC_ID> (1,623)
359327193

>  <transfer_container_id> (1,623)
PTN000000067

>  <COMPOUND_NUMBER> (1,623)
WAY-278473

>  <BAR_CODE_NO> (1,623)
389127

>  <LOCATION_CODE> (1,623)
PTNCS

>  <AMOUNT_CURRENT> (1,623)
32.5

$$$$
WAY-616906
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.1917   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -1.9708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0667   -2.9792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0208   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    2.4750    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
    1.1542   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417   -0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    2.6458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -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  6  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  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11  7  2  0  0  0  0
 12 13  1  0  0  0  0
 13  2  1  0  0  0  0
 14 21  1  0  0  0  0
 15 23  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  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 17  1  0  0  0  0
 22 14  2  0  0  0  0
 23 20  2  0  0  0  0
 24 14  1  0  0  0  0
 25  9  1  0  0  0  0
 26 15  1  0  0  0  0
 27  3  1  0  0  0  0
 28 12  1  0  0  0  0
 29 12  1  0  0  0  0
  3  8  1  0  0  0  0
 12 16  1  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,624)
1624

>  <Formula> (1,624)
C21H26Cl2N2O4

>  <MolWeight> (1,624)
441.34814

>  <PCAT_CMPD_ID> (1,624)
WAY-616906

>  <CNC_ID> (1,624)
359321992

>  <transfer_container_id> (1,624)
PTN000000065

>  <COMPOUND_NUMBER> (1,624)
WAY-616906

>  <BAR_CODE_NO> (1,624)
90450905

>  <LOCATION_CODE> (1,624)
PTNCS

>  <AMOUNT_CURRENT> (1,624)
32.5

$$$$
WAY-329645
csChFnd80/11182011152D

 26 28  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
    8.0500   -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
   12.8125   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -4.5000    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
    8.6250   -4.5000    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
   12.9375   -0.6125    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
    5.1500   -4.5000    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
   14.8125   -1.9750    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
    6.3125   -6.5000    0.0000 C   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   -5.5000    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
    5.1500   -6.5000    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   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -4.5000    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  2  0  0  0  0
  5  4  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  7  1  0  0  0  0
 10  6  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  4  1  0  0  0  0
 15  9  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  7  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  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
  3  5  1  0  0  0  0
 17 18  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,625)
1625

>  <Formula> (1,625)
C21H23N3O2

>  <MolWeight> (1,625)
349.42622

>  <PCAT_CMPD_ID> (1,625)
WAY-329645

>  <CNC_ID> (1,625)
359317013

>  <transfer_container_id> (1,625)
PTN000000065

>  <COMPOUND_NUMBER> (1,625)
WAY-329645

>  <BAR_CODE_NO> (1,625)
304646

>  <LOCATION_CODE> (1,625)
PTNCS

>  <AMOUNT_CURRENT> (1,625)
32.5

$$$$
WAY-642518
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.5708    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -2.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    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  1  2  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  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9 15  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 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16  4  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
  8  2  1  0  0  0  0
 19 17  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,626)
1626

>  <Formula> (1,626)
C15H14N2OS

>  <MolWeight> (1,626)
270.34946

>  <PCAT_CMPD_ID> (1,626)
WAY-642518

>  <CNC_ID> (1,626)
359324256

>  <transfer_container_id> (1,626)
PTN000000065

>  <COMPOUND_NUMBER> (1,626)
WAY-642518

>  <BAR_CODE_NO> (1,626)
90477078

>  <LOCATION_CODE> (1,626)
PTNCS

>  <AMOUNT_CURRENT> (1,626)
33

$$$$
WAY-642678
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.8625   -0.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.2167    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
   -0.2833    0.2583    0.0000 N   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
    2.2750   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    3.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.0417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -3.3417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.8042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -1.3917    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  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6 15  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 17  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13 25  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 20  2  0  0  0  0
 18 10  1  0  0  0  0
 19  7  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  5  1  0  0  0  0
 24  5  1  0  0  0  0
 25 26  2  0  0  0  0
 26 20  1  0  0  0  0
 27  4  1  0  0  0  0
 28  2  1  0  0  0  0
 29 18  1  0  0  0  0
 30 21  1  0  0  0  0
 31 32  1  0  0  0  0
 32 28  2  0  0  0  0
  6 16  1  0  0  0  0
 31 27  2  0  0  0  0
 13 10  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,627)
1627

>  <Formula> (1,627)
C21H21F3N2O5S

>  <MolWeight> (1,627)
470.4620496

>  <PCAT_CMPD_ID> (1,627)
WAY-642678

>  <CNC_ID> (1,627)
359324416

>  <transfer_container_id> (1,627)
PTN000000065

>  <COMPOUND_NUMBER> (1,627)
WAY-642678

>  <BAR_CODE_NO> (1,627)
90477240

>  <LOCATION_CODE> (1,627)
PTNCS

>  <AMOUNT_CURRENT> (1,627)
32.5

$$$$
WAY-623531
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.9750    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    2.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -4.1000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -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  1  2  0  0  0  0
  4  2  2  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 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10  8  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 19  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 17 16  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,628)
1628

>  <Formula> (1,628)
C13H11BrN2O3

>  <MolWeight> (1,628)
323.14204

>  <PCAT_CMPD_ID> (1,628)
WAY-623531

>  <CNC_ID> (1,628)
359322151

>  <transfer_container_id> (1,628)
PTN000000065

>  <COMPOUND_NUMBER> (1,628)
WAY-623531

>  <BAR_CODE_NO> (1,628)
90457700

>  <LOCATION_CODE> (1,628)
PTNCS

>  <AMOUNT_CURRENT> (1,628)
32.4

$$$$
WAY-643261
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2875   -2.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    4.0167    0.0000 N   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
   -0.3458    4.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -4.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -3.9042    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  8  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 19  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  8  2  0  0  0  0
 14 24  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19 23  1  0  0  0  0
 20 22  1  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 18  1  0  0  0  0
 25 17  1  0  0  0  0
 20 21  2  0  0  0  0
 14 25  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,629)
1629

>  <Formula> (1,629)
C16H19N3O4S2

>  <MolWeight> (1,629)
381.46976

>  <PCAT_CMPD_ID> (1,629)
WAY-643261

>  <CNC_ID> (1,629)
359324999

>  <transfer_container_id> (1,629)
PTN000000065

>  <COMPOUND_NUMBER> (1,629)
WAY-643261

>  <BAR_CODE_NO> (1,629)
90477832

>  <LOCATION_CODE> (1,629)
PTNCS

>  <AMOUNT_CURRENT> (1,629)
32.7

$$$$
WAY-623920
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4250   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -2.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.7500    0.0000 C   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
    0.4250   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -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 12  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  5  2  0  0  0  0
  9  1  2  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  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  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
 25 23  1  0  0  0  0
 25 24  1  0  0  0  0
  3 11  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,630)
1630

>  <Formula> (1,630)
C18H27N5O2

>  <MolWeight> (1,630)
345.43928

>  <PCAT_CMPD_ID> (1,630)
WAY-623920

>  <CNC_ID> (1,630)
359322539

>  <transfer_container_id> (1,630)
PTN000000065

>  <COMPOUND_NUMBER> (1,630)
WAY-623920

>  <BAR_CODE_NO> (1,630)
90458092

>  <LOCATION_CODE> (1,630)
PTNCS

>  <AMOUNT_CURRENT> (1,630)
32.9

$$$$
WAY-642631
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3708   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.3250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6208   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -2.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2667    3.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    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  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 14  2  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  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 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 25  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  2  0  0  0  0
  4  5  1  0  0  0  0
 24 20  1  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,631)
1631

>  <Formula> (1,631)
C18H24N4O3

>  <MolWeight> (1,631)
344.40816

>  <PCAT_CMPD_ID> (1,631)
WAY-642631

>  <CNC_ID> (1,631)
359324369

>  <transfer_container_id> (1,631)
PTN000000065

>  <COMPOUND_NUMBER> (1,631)
WAY-642631

>  <BAR_CODE_NO> (1,631)
90477193

>  <LOCATION_CODE> (1,631)
PTNCS

>  <AMOUNT_CURRENT> (1,631)
33

$$$$
WAY-642047
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5417   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.9125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1708   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5958    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.5792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5417    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -3.4167    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  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  9  1  0  0  0  0
 11  2  2  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 10  2  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  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 13  1  0  0  0  0
 23 13  1  0  0  0  0
 24 16  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  4  5  1  0  0  0  0
 27 23  1  0  0  0  0
 20 15  1  0  0  0  0
 26 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,632)
1632

>  <Formula> (1,632)
C21H27N3O3

>  <MolWeight> (1,632)
369.45738

>  <PCAT_CMPD_ID> (1,632)
WAY-642047

>  <CNC_ID> (1,632)
359323785

>  <transfer_container_id> (1,632)
PTN000000065

>  <COMPOUND_NUMBER> (1,632)
WAY-642047

>  <BAR_CODE_NO> (1,632)
90476601

>  <LOCATION_CODE> (1,632)
PTNCS

>  <AMOUNT_CURRENT> (1,632)
32.5

$$$$
WAY-624426
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.2125   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -4.0542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -3.0125    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
    0.5750   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -4.2250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3792    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.6583    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
   -0.6375    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    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  3  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  1  0  0  0  0
  9 15  1  0  0  0  0
 10  2  2  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 11  1  0  0  0  0
 16 12  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
  4  7  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,633)
1633

>  <Formula> (1,633)
C14H12N2O5S

>  <MolWeight> (1,633)
320.32048

>  <PCAT_CMPD_ID> (1,633)
WAY-624426

>  <CNC_ID> (1,633)
359322847

>  <transfer_container_id> (1,633)
PTN000000065

>  <COMPOUND_NUMBER> (1,633)
WAY-624426

>  <BAR_CODE_NO> (1,633)
90458601

>  <LOCATION_CODE> (1,633)
PTNCS

>  <AMOUNT_CURRENT> (1,633)
32.9

$$$$
WAY-643939
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.6875    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    2.1833    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  2  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  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  3  2  0  0  0  0
 13 21  1  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  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  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 23  1  0  0  0  0
  2  6  2  0  0  0  0
 24 18  2  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,634)
1634

>  <Formula> (1,634)
C18H23N3O3

>  <MolWeight> (1,634)
329.39352

>  <PCAT_CMPD_ID> (1,634)
WAY-643939

>  <CNC_ID> (1,634)
359325678

>  <transfer_container_id> (1,634)
PTN000000065

>  <COMPOUND_NUMBER> (1,634)
WAY-643939

>  <BAR_CODE_NO> (1,634)
90478513

>  <LOCATION_CODE> (1,634)
PTNCS

>  <AMOUNT_CURRENT> (1,634)
32.7

$$$$
WAY-333718
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.7625   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -2.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -3.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -5.1292    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  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  1  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15  2  2  0  0  0  0
 16  5  2  0  0  0  0
 17  4  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  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
  8  7  1  0  0  0  0
 19 16  1  0  0  0  0
 11  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,635)
1635

>  <Formula> (1,635)
C16H19NO5

>  <MolWeight> (1,635)
305.32576

>  <PCAT_CMPD_ID> (1,635)
WAY-333718

>  <CNC_ID> (1,635)
359332251

>  <transfer_container_id> (1,635)
PTN000000067

>  <COMPOUND_NUMBER> (1,635)
WAY-333718

>  <BAR_CODE_NO> (1,635)
308719

>  <LOCATION_CODE> (1,635)
PTNCS

>  <AMOUNT_CURRENT> (1,635)
32.5

$$$$
WAY-616713
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7208   -1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542    1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.7333    0.0000 O   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
   -1.8542    1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -3.4792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    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  5  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 11  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 12  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  2  0  0  0  0
 15  5  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 10  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
  4  9  2  0  0  0  0
 10 16  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,636)
1636

>  <Formula> (1,636)
C16H10ClNO3S

>  <MolWeight> (1,636)
331.7735

>  <PCAT_CMPD_ID> (1,636)
WAY-616713

>  <CNC_ID> (1,636)
359321799

>  <transfer_container_id> (1,636)
PTN000000065

>  <COMPOUND_NUMBER> (1,636)
WAY-616713

>  <BAR_CODE_NO> (1,636)
90450707

>  <LOCATION_CODE> (1,636)
PTNCS

>  <AMOUNT_CURRENT> (1,636)
32

$$$$
WAY-642542
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.5083   -1.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    3.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -2.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6708   -1.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3167    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -3.4542    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  8  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7 14  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  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 16  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  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  4  2  0  0  0  0
 20 12  1  0  0  0  0
 21  7  2  0  0  0  0
 22  8  2  0  0  0  0
 23 19  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
 28 16  1  0  0  0  0
 13 17  1  0  0  0  0
 25 14  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,637)
1637

>  <Formula> (1,637)
C19H21NO6S2

>  <MolWeight> (1,637)
423.50314

>  <PCAT_CMPD_ID> (1,637)
WAY-642542

>  <CNC_ID> (1,637)
359324280

>  <transfer_container_id> (1,637)
PTN000000065

>  <COMPOUND_NUMBER> (1,637)
WAY-642542

>  <BAR_CODE_NO> (1,637)
90477103

>  <LOCATION_CODE> (1,637)
PTNCS

>  <AMOUNT_CURRENT> (1,637)
32.1

$$$$
WAY-641861
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.6833   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -3.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -3.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    2.3458    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
    0.0292    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    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  1  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  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9 16  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  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16 19  1  0  0  0  0
 17  4  1  0  0  0  0
 18 11  1  0  0  0  0
 19  7  1  0  0  0  0
 20  6  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 18  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
 10  8  2  0  0  0  0
 23 18  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,638)
1638

>  <Formula> (1,638)
C19H16N2O4S

>  <MolWeight> (1,638)
368.40634

>  <PCAT_CMPD_ID> (1,638)
WAY-641861

>  <CNC_ID> (1,638)
359323599

>  <transfer_container_id> (1,638)
PTN000000065

>  <COMPOUND_NUMBER> (1,638)
WAY-641861

>  <BAR_CODE_NO> (1,638)
90476414

>  <LOCATION_CODE> (1,638)
PTNCS

>  <AMOUNT_CURRENT> (1,638)
32.5

$$$$
WAY-329656
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.5875   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   -2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -5.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -6.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -8.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500    0.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -9.1125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.7250   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -4.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8625   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9  4  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  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  1  0  0  0  0
 22  4  2  0  0  0  0
 23 10  1  0  0  0  0
 24  9  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
  6  5  1  0  0  0  0
 24 27  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,639)
1639

>  <Formula> (1,639)
C19H17BrFN3O3

>  <MolWeight> (1,639)
434.2589832

>  <PCAT_CMPD_ID> (1,639)
WAY-329656

>  <CNC_ID> (1,639)
359317024

>  <transfer_container_id> (1,639)
PTN000000065

>  <COMPOUND_NUMBER> (1,639)
WAY-329656

>  <BAR_CODE_NO> (1,639)
304657

>  <LOCATION_CODE> (1,639)
PTNCS

>  <AMOUNT_CURRENT> (1,639)
32.5

$$$$
WAY-623940
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.9500    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    2.5208    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 14  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  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11 20  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  1  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17  8  1  0  0  0  0
 18  8  2  0  0  0  0
 19 12  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 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
 10  3  1  0  0  0  0
 26 23  2  0  0  0  0
 19 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,640)
1640

>  <Formula> (1,640)
C19H22N2O5

>  <MolWeight> (1,640)
358.38838

>  <PCAT_CMPD_ID> (1,640)
WAY-623940

>  <CNC_ID> (1,640)
359322559

>  <transfer_container_id> (1,640)
PTN000000065

>  <COMPOUND_NUMBER> (1,640)
WAY-623940

>  <BAR_CODE_NO> (1,640)
90458113

>  <LOCATION_CODE> (1,640)
PTNCS

>  <AMOUNT_CURRENT> (1,640)
32.3

$$$$
WAY-278490
csChFnd80/11182011152D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0172    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724    0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.5207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -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
  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  9  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,641)
1641

>  <Formula> (1,641)
C8H6N2S

>  <MolWeight> (1,641)
162.21164

>  <PCAT_CMPD_ID> (1,641)
WAY-278490

>  <CNC_ID> (1,641)
359327210

>  <transfer_container_id> (1,641)
PTN000000067

>  <COMPOUND_NUMBER> (1,641)
WAY-278490

>  <BAR_CODE_NO> (1,641)
389144

>  <LOCATION_CODE> (1,641)
PTNCS

>  <AMOUNT_CURRENT> (1,641)
32.5

$$$$
WAY-329840
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -8.4000    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7208    5.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5083    3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7250    6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7583    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    8.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1625    5.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4458    6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1375    1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8458    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9000   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    8.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1500   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3125   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5625   -5.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.9208   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9250   14.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7750   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750   12.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   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  4  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  6  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 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 21  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 19  1  0  0  0  0
 22 17  1  0  0  0  0
  8  7  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,642)
1642

>  <Formula> (1,642)
C15H20ClN3O3

>  <MolWeight> (1,642)
325.7906

>  <PCAT_CMPD_ID> (1,642)
WAY-329840

>  <CNC_ID> (1,642)
359317206

>  <transfer_container_id> (1,642)
PTN000000065

>  <COMPOUND_NUMBER> (1,642)
WAY-329840

>  <BAR_CODE_NO> (1,642)
304841

>  <LOCATION_CODE> (1,642)
PTNCS

>  <AMOUNT_CURRENT> (1,642)
32.5

$$$$
WAY-329847
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -8.4000    3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7333    5.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    3.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    8.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   11.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.7208    6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7667    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   12.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -9.4542    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1625    5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417    1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8542    9.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   14.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -10.9042   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1958   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3417   -5.9042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.7792   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1542   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3167   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9292   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   11.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   13.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042   11.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   15.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5292   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  7  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  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  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  6  1  0  0  0  0
 23 22  1  0  0  0  0
 24  9  1  0  0  0  0
 25 23  1  0  0  0  0
 26 14  1  0  0  0  0
 11 10  1  0  0  0  0
 21 16  2  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,643)
1643

>  <Formula> (1,643)
C20H28ClN3O2

>  <MolWeight> (1,643)
377.90822

>  <PCAT_CMPD_ID> (1,643)
WAY-329847

>  <CNC_ID> (1,643)
359317213

>  <transfer_container_id> (1,643)
PTN000000065

>  <COMPOUND_NUMBER> (1,643)
WAY-329847

>  <BAR_CODE_NO> (1,643)
304848

>  <LOCATION_CODE> (1,643)
PTNCS

>  <AMOUNT_CURRENT> (1,643)
32.5

$$$$
WAY-389146
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   11.9125   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -5.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -9.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -7.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -9.1417    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
    6.2042   -6.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625  -10.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8292   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -4.1500    0.0000 O   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
    4.3292    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.8125    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
    7.1250   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -6.0750    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
   15.8417   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.2917    0.0000 Cl  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 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  1  2  0  0  0  0
 13 17  1  0  0  0  0
 14  7  2  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 15  1  0  0  0  0
  3  5  2  0  0  0  0
 15  9  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,644)
1644

>  <Formula> (1,644)
C15H17ClN4O2

>  <MolWeight> (1,644)
320.77408

>  <PCAT_CMPD_ID> (1,644)
WAY-389146

>  <CNC_ID> (1,644)
359320946

>  <transfer_container_id> (1,644)
PTN000000065

>  <COMPOUND_NUMBER> (1,644)
WAY-389146

>  <BAR_CODE_NO> (1,644)
90477650

>  <LOCATION_CODE> (1,644)
PTNCS

>  <AMOUNT_CURRENT> (1,644)
32.9

$$$$
WAY-643023
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.4042   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    3.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0625    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.6292    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
    0.4500    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.3833    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
   -0.0708   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -3.5750    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
   -0.0208    4.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -4.7750    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  4  1  0  0  0  0
  7 14  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  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15  2  1  0  0  0  0
 16  3  2  0  0  0  0
 17  4  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20  6  1  0  0  0  0
 21  9  2  0  0  0  0
 22  6  1  0  0  0  0
 23 15  2  0  0  0  0
 24 15  1  0  0  0  0
 25 20  1  0  0  0  0
 26 20  2  0  0  0  0
 27 22  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  2  0  0  0  0
 30 26  1  0  0  0  0
 31 23  1  0  0  0  0
 32 28  1  0  0  0  0
 33 30  2  0  0  0  0
  5  6  1  0  0  0  0
  7 13  1  0  0  0  0
 33 29  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,645)
1645

>  <Formula> (1,645)
C23H26N4O5S

>  <MolWeight> (1,645)
470.54134

>  <PCAT_CMPD_ID> (1,645)
WAY-643023

>  <CNC_ID> (1,645)
359324761

>  <transfer_container_id> (1,645)
PTN000000065

>  <COMPOUND_NUMBER> (1,645)
WAY-643023

>  <BAR_CODE_NO> (1,645)
90477591

>  <LOCATION_CODE> (1,645)
PTNCS

>  <AMOUNT_CURRENT> (1,645)
32.2

$$$$
WAY-624782
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.8667   -1.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.9583    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
   -0.9958    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    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  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  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 18  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  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  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 12  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 24  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 19  1  0  0  0  0
 20 23  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,646)
1646

>  <Formula> (1,646)
C22H28N4O4S

>  <MolWeight> (1,646)
444.54712

>  <PCAT_CMPD_ID> (1,646)
WAY-624782

>  <CNC_ID> (1,646)
359323203

>  <transfer_container_id> (1,646)
PTN000000065

>  <COMPOUND_NUMBER> (1,646)
WAY-624782

>  <BAR_CODE_NO> (1,646)
90458960

>  <LOCATION_CODE> (1,646)
PTNCS

>  <AMOUNT_CURRENT> (1,646)
32.9

$$$$
WAY-329869
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -9.2542    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5792   10.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6542    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0625    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3792    6.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3292   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7792   11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0417    4.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9792    8.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3500    4.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6542    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4542    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7792    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9792    6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917    6.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6417    5.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0708    9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6000    6.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1792   12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2792   11.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4000    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9500    4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6792   13.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1292   13.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7000    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  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  6  1  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  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  4  2  0  0  0  0
 16 10  2  0  0  0  0
 17  2  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  2  0  0  0  0
 20  6  2  0  0  0  0
 21 10  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  7  2  1  0  0  0  0
 19 24  1  0  0  0  0
 14  8  1  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,647)
1647

>  <Formula> (1,647)
C21H22FN3O

>  <MolWeight> (1,647)
351.4172832

>  <PCAT_CMPD_ID> (1,647)
WAY-329869

>  <CNC_ID> (1,647)
359317235

>  <transfer_container_id> (1,647)
PTN000000065

>  <COMPOUND_NUMBER> (1,647)
WAY-329869

>  <BAR_CODE_NO> (1,647)
304870

>  <LOCATION_CODE> (1,647)
PTNCS

>  <AMOUNT_CURRENT> (1,647)
32.5

$$$$
WAY-643758
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.0208   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    0.6208    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  6  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  5  1  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  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16 13  2  0  0  0  0
 17  2  1  0  0  0  0
 18 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 10  2  0  0  0  0
 21  8  1  0  0  0  0
 22 19  2  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 23  2  0  0  0  0
 14  8  2  0  0  0  0
 25 26  1  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,648)
1648

>  <Formula> (1,648)
C21H20N2O3

>  <MolWeight> (1,648)
348.3951

>  <PCAT_CMPD_ID> (1,648)
WAY-643758

>  <CNC_ID> (1,648)
359325496

>  <transfer_container_id> (1,648)
PTN000000065

>  <COMPOUND_NUMBER> (1,648)
WAY-643758

>  <BAR_CODE_NO> (1,648)
90478330

>  <LOCATION_CODE> (1,648)
PTNCS

>  <AMOUNT_CURRENT> (1,648)
32.3

$$$$
WAY-643277
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.7208    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -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  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  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  3  2  0  0  0  0
 11  3  1  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 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 20  2  0  0  0  0
 18 23  1  0  0  0  0
 19  7  2  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22  7  1  0  0  0  0
 23 14  2  0  0  0  0
 24 18  2  0  0  0  0
 25 15  1  0  0  0  0
 17 19  1  0  0  0  0
 24 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,649)
1649

>  <Formula> (1,649)
C20H24N2O3

>  <MolWeight> (1,649)
340.41616

>  <PCAT_CMPD_ID> (1,649)
WAY-643277

>  <CNC_ID> (1,649)
359325015

>  <transfer_container_id> (1,649)
PTN000000065

>  <COMPOUND_NUMBER> (1,649)
WAY-643277

>  <BAR_CODE_NO> (1,649)
90477848

>  <LOCATION_CODE> (1,649)
PTNCS

>  <AMOUNT_CURRENT> (1,649)
32.5

$$$$
WAY-642468
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.9792   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    4.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -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  9  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  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9 18  1  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  3  2  0  0  0  0
 14  8  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 12  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21  4  1  0  0  0  0
 22 20  1  0  0  0  0
 23 24  2  0  0  0  0
 24 14  1  0  0  0  0
 25 23  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 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
  9 17  1  0  0  0  0
 32 31  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,650)
1650

>  <Formula> (1,650)
C24H30N4O4

>  <MolWeight> (1,650)
438.5194

>  <PCAT_CMPD_ID> (1,650)
WAY-642468

>  <CNC_ID> (1,650)
359324206

>  <transfer_container_id> (1,650)
PTN000000065

>  <COMPOUND_NUMBER> (1,650)
WAY-642468

>  <BAR_CODE_NO> (1,650)
90477028

>  <LOCATION_CODE> (1,650)
PTNCS

>  <AMOUNT_CURRENT> (1,650)
32.9

$$$$
WAY-642482
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.5292   -0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.0292    0.0000 N   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
   -1.0375   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.4500    0.0000 N   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
   -3.1833   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.2000    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
    3.2417   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6125   -0.4500    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
    2.5292    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    0.7875    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 14  1  0  0  0  0
  5  2  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  2  2  0  0  0  0
 10 13  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  6  1  0  0  0  0
 15 20  1  0  0  0  0
 16  6  2  0  0  0  0
 17 25  1  0  0  0  0
 18  4  1  0  0  0  0
 19  9  1  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 19  2  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 11  1  0  0  0  0
 28 15  1  0  0  0  0
 29 24  1  0  0  0  0
 30 27  2  0  0  0  0
 31 28  2  0  0  0  0
 17 26  1  0  0  0  0
 13 23  1  0  0  0  0
 15 11  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,651)
1651

>  <Formula> (1,651)
C22H27N3O5S

>  <MolWeight> (1,651)
445.53188

>  <PCAT_CMPD_ID> (1,651)
WAY-642482

>  <CNC_ID> (1,651)
359324220

>  <transfer_container_id> (1,651)
PTN000000065

>  <COMPOUND_NUMBER> (1,651)
WAY-642482

>  <BAR_CODE_NO> (1,651)
90477042

>  <LOCATION_CODE> (1,651)
PTNCS

>  <AMOUNT_CURRENT> (1,651)
32.4

$$$$
WAY-330934
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.4000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -3.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -5.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708   -6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792  -10.8042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.5792    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  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 27  2  0  0  0  0
 22  5  2  0  0  0  0
 23 21  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  9  1  0  0  0  0
 29 28  2  0  0  0  0
 30 20  1  0  0  0  0
 31 30  1  0  0  0  0
  6  5  1  0  0  0  0
 29 22  1  0  0  0  0
  7 15  1  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,652)
1652

>  <Formula> (1,652)
C23H24FN3O4

>  <MolWeight> (1,652)
425.4527632

>  <PCAT_CMPD_ID> (1,652)
WAY-330934

>  <CNC_ID> (1,652)
359318289

>  <transfer_container_id> (1,652)
PRL000000094

>  <COMPOUND_NUMBER> (1,652)
WAY-330934

>  <BAR_CODE_NO> (1,652)
326935

>  <LOCATION_CODE> (1,652)
PRLCS

>  <AMOUNT_CURRENT> (1,652)
32.5

$$$$
WAY-643489
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5333   -2.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    3.9250    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 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  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 15  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  4  1  0  0  0  0
 18 12  1  0  0  0  0
  3  5  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,653)
1653

>  <Formula> (1,653)
C13H14N2O2S

>  <MolWeight> (1,653)
262.32746

>  <PCAT_CMPD_ID> (1,653)
WAY-643489

>  <CNC_ID> (1,653)
359325227

>  <transfer_container_id> (1,653)
PTN000000065

>  <COMPOUND_NUMBER> (1,653)
WAY-643489

>  <BAR_CODE_NO> (1,653)
90478061

>  <LOCATION_CODE> (1,653)
PTNCS

>  <AMOUNT_CURRENT> (1,653)
32.3

$$$$
WAY-642086
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.4083    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 10  2  0  0  0  0
  4  1  1  0  0  0  0
  5 16  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  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  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 21  4  1  0  0  0  0
 22 19  1  0  0  0  0
 23 12  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
 12  6  1  0  0  0  0
 26 23  2  0  0  0  0
  3  7  1  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,654)
1654

>  <Formula> (1,654)
C19H14N2O5

>  <MolWeight> (1,654)
350.32486

>  <PCAT_CMPD_ID> (1,654)
WAY-642086

>  <CNC_ID> (1,654)
359323824

>  <transfer_container_id> (1,654)
PTN000000065

>  <COMPOUND_NUMBER> (1,654)
WAY-642086

>  <BAR_CODE_NO> (1,654)
90476640

>  <LOCATION_CODE> (1,654)
PTNCS

>  <AMOUNT_CURRENT> (1,654)
32.8

$$$$
WAY-642087
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.1708    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    2.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    2.5208    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 18  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  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  2  0  0  0  0
 14  6  2  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 17  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  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 14  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
 14  7  1  0  0  0  0
 26 24  2  0  0  0  0
  8  3  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,655)
1655

>  <Formula> (1,655)
C20H16N2O4

>  <MolWeight> (1,655)
348.35204

>  <PCAT_CMPD_ID> (1,655)
WAY-642087

>  <CNC_ID> (1,655)
359323825

>  <transfer_container_id> (1,655)
PTN000000065

>  <COMPOUND_NUMBER> (1,655)
WAY-642087

>  <BAR_CODE_NO> (1,655)
90476641

>  <LOCATION_CODE> (1,655)
PTNCS

>  <AMOUNT_CURRENT> (1,655)
32.6

$$$$
WAY-615976
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0042   -3.2500    0.0000 N   0  3  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
   -0.8542    1.7000    0.0000 N   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
   -0.1375    1.2875    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
    1.2875   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667    1.2875    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
   -2.2833    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -3.6625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5750    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -3.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542    2.5250    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
   -2.2833    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667    2.9375    0.0000 C   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
    3.4333   -2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    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  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5 15  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  2  2  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  1  2  0  0  0  0
 14  3  1  0  0  0  0
 15 12  1  0  0  0  0
 16 20  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 21  2  0  0  0  0
 20 14  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 16  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  2  0  0  0  0
 19  7  1  0  0  0  0
 10 16  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,656)
1656

>  <Formula> (1,656)
C18H17N3O5

>  <MolWeight> (1,656)
355.34468

>  <PCAT_CMPD_ID> (1,656)
WAY-615976

>  <CNC_ID> (1,656)
359321061

>  <transfer_container_id> (1,656)
PTN000000065

>  <COMPOUND_NUMBER> (1,656)
WAY-615976

>  <BAR_CODE_NO> (1,656)
90449952

>  <LOCATION_CODE> (1,656)
PTNCS

>  <AMOUNT_CURRENT> (1,656)
32.2

$$$$
WAY-329626
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.5875   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -6.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4625   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -7.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -7.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000   -8.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   -8.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -9.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6875   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -0.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -8.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -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  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  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 17  9  1  0  0  0  0
 18 10  2  0  0  0  0
 19  5  2  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
  5  3  1  0  0  0  0
 19 22  1  0  0  0  0
 15  9  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,657)
1657

>  <Formula> (1,657)
C21H20ClN3O3

>  <MolWeight> (1,657)
397.8548

>  <PCAT_CMPD_ID> (1,657)
WAY-329626

>  <CNC_ID> (1,657)
359316994

>  <transfer_container_id> (1,657)
PTN000000065

>  <COMPOUND_NUMBER> (1,657)
WAY-329626

>  <BAR_CODE_NO> (1,657)
304627

>  <LOCATION_CODE> (1,657)
PTNCS

>  <AMOUNT_CURRENT> (1,657)
32.5

$$$$
WAY-331570
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9625   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4125   -4.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -8.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -5.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -7.4250    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  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  8  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  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  2  0  0  0  0
 18  2  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21  9  2  0  0  0  0
 22 10  1  0  0  0  0
 23 16  2  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
  4  5  2  0  0  0  0
 14  8  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,658)
1658

>  <Formula> (1,658)
C20H24FN3O2

>  <MolWeight> (1,658)
357.4218632

>  <PCAT_CMPD_ID> (1,658)
WAY-331570

>  <CNC_ID> (1,658)
359330108

>  <transfer_container_id> (1,658)
PTN000000067

>  <COMPOUND_NUMBER> (1,658)
WAY-331570

>  <BAR_CODE_NO> (1,658)
306571

>  <LOCATION_CODE> (1,658)
PTNCS

>  <AMOUNT_CURRENT> (1,658)
32.5

$$$$
WAY-332713
csChFnd80/11182011152D

 27 30  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
    8.0667   -7.5250    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
    7.2500   -8.9375    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
    2.3625   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -4.7000    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
    3.1750   -4.7000    0.0000 C   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
   -0.0875   -4.7000    0.0000 O   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
    3.1750   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.8750    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
  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  8  1  0  0  0  0
  7  1  2  0  0  0  0
  8 10  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 16  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17  8  2  0  0  0  0
 18 13  2  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 14  2  0  0  0  0
 25 13  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
  3  4  1  0  0  0  0
 20 26  1  0  0  0  0
 17 11  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,659)
1659

>  <Formula> (1,659)
C22H19ClN2O2

>  <MolWeight> (1,659)
378.85146

>  <PCAT_CMPD_ID> (1,659)
WAY-332713

>  <CNC_ID> (1,659)
359331249

>  <transfer_container_id> (1,659)
PTN000000067

>  <COMPOUND_NUMBER> (1,659)
WAY-332713

>  <BAR_CODE_NO> (1,659)
307714

>  <LOCATION_CODE> (1,659)
PTNCS

>  <AMOUNT_CURRENT> (1,659)
32.5

$$$$
WAY-643823
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.4750   -3.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.6375    0.0000 N   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
    0.9542    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -4.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -3.3125    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
   -0.2833    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.6375    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 10  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  1  2  0  0  0  0
  9 14  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16  1  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19  4  1  0  0  0  0
 20  4  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
 25 23  1  0  0  0  0
 26 21  1  0  0  0  0
  9 15  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,660)
1660

>  <Formula> (1,660)
C20H30N2O3S

>  <MolWeight> (1,660)
378.5288

>  <PCAT_CMPD_ID> (1,660)
WAY-643823

>  <CNC_ID> (1,660)
359325562

>  <transfer_container_id> (1,660)
PTN000000065

>  <COMPOUND_NUMBER> (1,660)
WAY-643823

>  <BAR_CODE_NO> (1,660)
90478395

>  <LOCATION_CODE> (1,660)
PTNCS

>  <AMOUNT_CURRENT> (1,660)
32.5

$$$$
WAY-329022
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.2417   -7.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -6.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1917   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167  -10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875  -11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750  -12.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -5.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167  -10.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417  -11.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792  -13.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292  -12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375  -10.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667  -15.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625  -11.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -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  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  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15 17  2  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  1  0  0  0  0
 19  2  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  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 25  1  0  0  0  0
 11  8  1  0  0  0  0
 15 10  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,661)
1661

>  <Formula> (1,661)
C21H30N2O4

>  <MolWeight> (1,661)
374.4739

>  <PCAT_CMPD_ID> (1,661)
WAY-329022

>  <CNC_ID> (1,661)
359316387

>  <transfer_container_id> (1,661)
PTN000000065

>  <COMPOUND_NUMBER> (1,661)
WAY-329022

>  <BAR_CODE_NO> (1,661)
304023

>  <LOCATION_CODE> (1,661)
PTNCS

>  <AMOUNT_CURRENT> (1,661)
32.5

$$$$
WAY-641926
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.2000   -1.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    2.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5208   -3.7500    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
   -0.6250   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -3.4417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -4.5750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -4.8750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.3750    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
    0.9125   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.2708    0.0000 C   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
    0.9125   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    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  8  1  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  6  1  0  0  0  0
  8  9  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  7  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  5  2  0  0  0  0
 17 12  2  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23  4  2  0  0  0  0
 24  7  1  0  0  0  0
 25 26  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 12  1  0  0  0  0
 29 27  1  0  0  0  0
 30 17  1  0  0  0  0
 31 28  2  0  0  0  0
 32 31  1  0  0  0  0
 13 22  1  0  0  0  0
 25  8  1  0  0  0  0
 29 17  1  0  0  0  0
 32 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,662)
1662

>  <Formula> (1,662)
C23H25F3N2O3S

>  <MolWeight> (1,662)
466.5164096

>  <PCAT_CMPD_ID> (1,662)
WAY-641926

>  <CNC_ID> (1,662)
359323664

>  <transfer_container_id> (1,662)
PTN000000065

>  <COMPOUND_NUMBER> (1,662)
WAY-641926

>  <BAR_CODE_NO> (1,662)
90476479

>  <LOCATION_CODE> (1,662)
PTNCS

>  <AMOUNT_CURRENT> (1,662)
32.6

$$$$
WAY-616071
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.0542    2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    1.9583    0.0000 N   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
    0.4708   -1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    1.2917    0.0000 C   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
    0.7292    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.9708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.4125    0.0000 C   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
   -0.7958   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    3.6667    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   -3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    4.4875    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   -3.6208    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
   -0.0542   -4.4083    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 10  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 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10 18  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  2  0  0  0  0
 15  6  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
  5  7  2  0  0  0  0
 17 16  2  0  0  0  0
  8  6  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,663)
1663

>  <Formula> (1,663)
C16H12N4S3

>  <MolWeight> (1,663)
356.48828

>  <PCAT_CMPD_ID> (1,663)
WAY-616071

>  <CNC_ID> (1,663)
359321156

>  <transfer_container_id> (1,663)
PTN000000065

>  <COMPOUND_NUMBER> (1,663)
WAY-616071

>  <BAR_CODE_NO> (1,663)
90450051

>  <LOCATION_CODE> (1,663)
PTNCS

>  <AMOUNT_CURRENT> (1,663)
32.3

$$$$
WAY-643583
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2917    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -1.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.9417    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
   -2.0083    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.9375    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  2  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  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  5  2  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 13  1  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 14  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  7  4  1  0  0  0  0
 22 18  2  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,664)
1664

>  <Formula> (1,664)
C16H15N3O2S2

>  <MolWeight> (1,664)
345.4392

>  <PCAT_CMPD_ID> (1,664)
WAY-643583

>  <CNC_ID> (1,664)
359325321

>  <transfer_container_id> (1,664)
PTN000000065

>  <COMPOUND_NUMBER> (1,664)
WAY-643583

>  <BAR_CODE_NO> (1,664)
90478155

>  <LOCATION_CODE> (1,664)
PTNCS

>  <AMOUNT_CURRENT> (1,664)
33

$$$$
WAY-332388
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
  -10.3750    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250    7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3750    7.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    8.9375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.3250    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625   11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6125    4.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6125    8.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250   12.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9875    6.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    7.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250   14.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   11.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4000   12.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   11.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4000   14.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625   15.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   12.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   14.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    4.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750    7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750    5.4375    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  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  3  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 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  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  5  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 17  1  0  0  0  0
 25 20  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
 12  9  2  0  0  0  0
  4  2  1  0  0  0  0
 23 14  2  0  0  0  0
 30 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,665)
1665

>  <Formula> (1,665)
C22H22N4O4

>  <MolWeight> (1,665)
406.43448

>  <PCAT_CMPD_ID> (1,665)
WAY-332388

>  <CNC_ID> (1,665)
359330924

>  <transfer_container_id> (1,665)
PTN000000067

>  <COMPOUND_NUMBER> (1,665)
WAY-332388

>  <BAR_CODE_NO> (1,665)
307389

>  <LOCATION_CODE> (1,665)
PTNCS

>  <AMOUNT_CURRENT> (1,665)
32.5

$$$$
WAY-623524
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.0167   -3.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.9958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0167    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -4.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -3.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -3.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    3.8833    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
    0.0167   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.4792    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
   -1.4083    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    5.9417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -5.6042    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
 31 29  1  0  0  0  0
 32 30  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> (1,666)
1666

>  <Formula> (1,666)
C23H28ClN3O4S

>  <MolWeight> (1,666)
478.00412

>  <PCAT_CMPD_ID> (1,666)
WAY-623524

>  <CNC_ID> (1,666)
359322144

>  <transfer_container_id> (1,666)
PTN000000065

>  <COMPOUND_NUMBER> (1,666)
WAY-623524

>  <BAR_CODE_NO> (1,666)
90457693

>  <LOCATION_CODE> (1,666)
PTNCS

>  <AMOUNT_CURRENT> (1,666)
32.9

$$$$
WAY-643862
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.1583    1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -3.0750    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
    0.9875   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -1.8375    0.0000 C   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
    0.9875   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -3.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    2.2875    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
  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 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8  2  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11 14  2  0  0  0  0
 12  1  1  0  0  0  0
 13 21  1  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 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19  2  1  0  0  0  0
 20 18  1  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 16  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 20  8  1  0  0  0  0
 26 22  2  0  0  0  0
  6  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,667)
1667

>  <Formula> (1,667)
C21H26N2O3

>  <MolWeight> (1,667)
354.44274

>  <PCAT_CMPD_ID> (1,667)
WAY-643862

>  <CNC_ID> (1,667)
359325601

>  <transfer_container_id> (1,667)
PTN000000065

>  <COMPOUND_NUMBER> (1,667)
WAY-643862

>  <BAR_CODE_NO> (1,667)
90478435

>  <LOCATION_CODE> (1,667)
PTNCS

>  <AMOUNT_CURRENT> (1,667)
32.5

$$$$
WAY-330532
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.1417   13.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9667   14.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6083   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1125    7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6083   10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1125    9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5958    7.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2208   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6083    7.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5958    5.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   12.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1125    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6250    5.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1333    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6500    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   15.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1125   13.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5958   10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   13.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5958   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    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  6  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  2  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 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  2  1  0  0  0  0
 19  3  2  0  0  0  0
 20 13  1  0  0  0  0
 21 23  2  0  0  0  0
 22 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 18 22  1  0  0  0  0
  6 21  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,668)
1668

>  <Formula> (1,668)
C19H20N2O3

>  <MolWeight> (1,668)
324.3737

>  <PCAT_CMPD_ID> (1,668)
WAY-330532

>  <CNC_ID> (1,668)
359317887

>  <transfer_container_id> (1,668)
PTN000000065

>  <COMPOUND_NUMBER> (1,668)
WAY-330532

>  <BAR_CODE_NO> (1,668)
305533

>  <LOCATION_CODE> (1,668)
PTNCS

>  <AMOUNT_CURRENT> (1,668)
32.5

$$$$
WAY-623957
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.2542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -4.0000    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
   -1.3208    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    1.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    3.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -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  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  3  2  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 21  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 19  1  0  0  0  0
 16 12  1  0  0  0  0
 17  6  2  0  0  0  0
 18  7  2  0  0  0  0
 19  6  1  0  0  0  0
 20 15  1  0  0  0  0
 21 22  2  0  0  0  0
 22 13  1  0  0  0  0
 23  8  1  0  0  0  0
 24 15  1  0  0  0  0
 25 14  1  0  0  0  0
 26 16  1  0  0  0  0
 27 24  1  0  0  0  0
  5  8  1  0  0  0  0
 12  9  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,669)
1669

>  <Formula> (1,669)
C18H22N4O5

>  <MolWeight> (1,669)
374.39108

>  <PCAT_CMPD_ID> (1,669)
WAY-623957

>  <CNC_ID> (1,669)
359322577

>  <transfer_container_id> (1,669)
PTN000000065

>  <COMPOUND_NUMBER> (1,669)
WAY-623957

>  <BAR_CODE_NO> (1,669)
90458130

>  <LOCATION_CODE> (1,669)
PTNCS

>  <AMOUNT_CURRENT> (1,669)
32.6

$$$$
WAY-643958
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.0292    0.0208    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
    0.3167   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.2583    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
    1.7417    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -3.6917    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
   -1.1125   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    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 10  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  1  1  0  0  0  0
 10  8  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  6  1  0  0  0  0
 15 18  2  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  3  1  0  0  0  0
 21 23  2  0  0  0  0
 22  7  2  0  0  0  0
 23 10  1  0  0  0  0
 24 21  1  0  0  0  0
 25 13  1  0  0  0  0
 26 15  1  0  0  0  0
 27 25  2  0  0  0  0
 24 13  2  0  0  0  0
 22 27  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,670)
1670

>  <Formula> (1,670)
C21H21N3O3

>  <MolWeight> (1,670)
363.40974

>  <PCAT_CMPD_ID> (1,670)
WAY-643958

>  <CNC_ID> (1,670)
359325697

>  <transfer_container_id> (1,670)
PTN000000065

>  <COMPOUND_NUMBER> (1,670)
WAY-643958

>  <BAR_CODE_NO> (1,670)
90478532

>  <LOCATION_CODE> (1,670)
PTNCS

>  <AMOUNT_CURRENT> (1,670)
32

$$$$
WAY-624888
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4417    0.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   -0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    1.2333    0.0000 O   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
   -2.4958   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -2.3792    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  8  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 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10  5  1  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  1  2  0  0  0  0
 15  2  2  0  0  0  0
 16 25  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 21  2  0  0  0  0
 20 16  2  0  0  0  0
 21 15  1  0  0  0  0
 22 27  1  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 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 12  1  0  0  0  0
 22 28  1  0  0  0  0
 19 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,671)
1671

>  <Formula> (1,671)
C17H18FN3O7S

>  <MolWeight> (1,671)
427.4041232

>  <PCAT_CMPD_ID> (1,671)
WAY-624888

>  <CNC_ID> (1,671)
359323309

>  <transfer_container_id> (1,671)
PTN000000065

>  <COMPOUND_NUMBER> (1,671)
WAY-624888

>  <BAR_CODE_NO> (1,671)
90459068

>  <LOCATION_CODE> (1,671)
PTNCS

>  <AMOUNT_CURRENT> (1,671)
32.3

$$$$
WAY-624698
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.9625   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -3.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -4.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    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 14  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  5  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 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  2  0  0  0  0
 18 20  1  0  0  0  0
 19 13  1  0  0  0  0
 20 11  1  0  0  0  0
 21 24  1  0  0  0  0
 22  9  1  0  0  0  0
 23  9  1  0  0  0  0
 24 26  2  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
  7 10  1  0  0  0  0
 21  8  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,672)
1672

>  <Formula> (1,672)
C18H20N2O6

>  <MolWeight> (1,672)
360.3612

>  <PCAT_CMPD_ID> (1,672)
WAY-624698

>  <CNC_ID> (1,672)
359323119

>  <transfer_container_id> (1,672)
PTN000000065

>  <COMPOUND_NUMBER> (1,672)
WAY-624698

>  <BAR_CODE_NO> (1,672)
90458874

>  <LOCATION_CODE> (1,672)
PTNCS

>  <AMOUNT_CURRENT> (1,672)
32.6

$$$$
WAY-330571
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1375  -13.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500  -15.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -6.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750  -12.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -12.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -15.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -6.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000  -15.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625  -15.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500    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  5  1  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  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  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  1  0  0  0  0
 15 12  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  1  0  0  0  0
 20 13  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 10  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,673)
1673

>  <Formula> (1,673)
C17H24N2O4

>  <MolWeight> (1,673)
320.38346

>  <PCAT_CMPD_ID> (1,673)
WAY-330571

>  <CNC_ID> (1,673)
359317926

>  <transfer_container_id> (1,673)
PTN000000065

>  <COMPOUND_NUMBER> (1,673)
WAY-330571

>  <BAR_CODE_NO> (1,673)
305572

>  <LOCATION_CODE> (1,673)
PTNCS

>  <AMOUNT_CURRENT> (1,673)
32.5

$$$$
WAY-616147
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4500    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2583    0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708   -0.2208    0.0000 O   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
    3.1167   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1375   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1375    0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -0.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0083    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3958    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    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  2  2  0  0  0  0
  8  9  1  0  0  0  0
  9 17  2  0  0  0  0
 10 22  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  6  1  0  0  0  0
 15 11  1  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  6  2  0  0  0  0
 20 10  2  0  0  0  0
 21 23  2  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
 25  4  1  0  0  0  0
 26  7  1  0  0  0  0
 27 16  1  0  0  0  0
 28 25  2  0  0  0  0
 29 28  1  0  0  0  0
  7  5  1  0  0  0  0
 27 29  2  0  0  0  0
  8 11  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,674)
1674

>  <Formula> (1,674)
C20H15ClN2O6

>  <MolWeight> (1,674)
414.7959

>  <PCAT_CMPD_ID> (1,674)
WAY-616147

>  <CNC_ID> (1,674)
359321232

>  <transfer_container_id> (1,674)
PTN000000065

>  <COMPOUND_NUMBER> (1,674)
WAY-616147

>  <BAR_CODE_NO> (1,674)
90450127

>  <LOCATION_CODE> (1,674)
PTNCS

>  <AMOUNT_CURRENT> (1,674)
32.7

$$$$
WAY-329455
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5042   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -3.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9083   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -3.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.0750    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
 22 21  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> (1,675)
1675

>  <Formula> (1,675)
C17H19NO3S

>  <MolWeight> (1,675)
317.40266

>  <PCAT_CMPD_ID> (1,675)
WAY-329455

>  <CNC_ID> (1,675)
359316823

>  <transfer_container_id> (1,675)
PTN000000065

>  <COMPOUND_NUMBER> (1,675)
WAY-329455

>  <BAR_CODE_NO> (1,675)
304456

>  <LOCATION_CODE> (1,675)
PTNCS

>  <AMOUNT_CURRENT> (1,675)
32.5

$$$$
WAY-329457
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.5042   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -3.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9083   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -3.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875   -7.8542    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  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17  7  2  0  0  0  0
 18 15  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 21  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
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,676)
1676

>  <Formula> (1,676)
C18H21NO3S

>  <MolWeight> (1,676)
331.42924

>  <PCAT_CMPD_ID> (1,676)
WAY-329457

>  <CNC_ID> (1,676)
359316825

>  <transfer_container_id> (1,676)
PTN000000065

>  <COMPOUND_NUMBER> (1,676)
WAY-329457

>  <BAR_CODE_NO> (1,676)
304458

>  <LOCATION_CODE> (1,676)
PTNCS

>  <AMOUNT_CURRENT> (1,676)
32.5

$$$$
WAY-278461
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.5667    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
    0.6375   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -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  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  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  1  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 13  1  0  0  0  0
 16  9  2  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 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  2  4  2  0  0  0  0
 22 21  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,677)
1677

>  <Formula> (1,677)
C16H12N2O3S

>  <MolWeight> (1,677)
312.34308

>  <PCAT_CMPD_ID> (1,677)
WAY-278461

>  <CNC_ID> (1,677)
359327181

>  <transfer_container_id> (1,677)
PTN000000067

>  <COMPOUND_NUMBER> (1,677)
WAY-278461

>  <BAR_CODE_NO> (1,677)
389115

>  <LOCATION_CODE> (1,677)
PTNCS

>  <AMOUNT_CURRENT> (1,677)
32.5

$$$$
WAY-332409
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.3125    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -3.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    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  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 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 15 21  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  2  0  0  0  0
 20 13  2  0  0  0  0
 21 17  1  0  0  0  0
 22 16  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 18  2  0  0  0  0
 27 18  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  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
  7  8  1  0  0  0  0
  9  4  2  0  0  0  0
 32 31  2  0  0  0  0
 22 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,678)
1678

>  <Formula> (1,678)
C25H30N4O3

>  <MolWeight> (1,678)
434.5307

>  <PCAT_CMPD_ID> (1,678)
WAY-332409

>  <CNC_ID> (1,678)
359330945

>  <transfer_container_id> (1,678)
PTN000000067

>  <COMPOUND_NUMBER> (1,678)
WAY-332409

>  <BAR_CODE_NO> (1,678)
307410

>  <LOCATION_CODE> (1,678)
PTNCS

>  <AMOUNT_CURRENT> (1,678)
32.5

$$$$
WAY-616888
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.8542   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -0.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.3250    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
  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
 22 18  1  0  0  0  0
 23 19  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> (1,679)
1679

>  <Formula> (1,679)
C17H23N3O2S

>  <MolWeight> (1,679)
333.44842

>  <PCAT_CMPD_ID> (1,679)
WAY-616888

>  <CNC_ID> (1,679)
359321974

>  <transfer_container_id> (1,679)
PTN000000065

>  <COMPOUND_NUMBER> (1,679)
WAY-616888

>  <BAR_CODE_NO> (1,679)
90450887

>  <LOCATION_CODE> (1,679)
PTNCS

>  <AMOUNT_CURRENT> (1,679)
32.6

$$$$
WAY-624922
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2583    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.0542    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
    1.1917    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    5.3167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -4.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -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  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  5  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  7  1  0  0  0  0
 13  6  2  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 12  2  0  0  0  0
 18 15  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 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  2  0  0  0  0
 27 25  2  0  0  0  0
 28 24  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 19 20  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,680)
1680

>  <Formula> (1,680)
C21H18ClN3O2S

>  <MolWeight> (1,680)
411.90452

>  <PCAT_CMPD_ID> (1,680)
WAY-624922

>  <CNC_ID> (1,680)
359323343

>  <transfer_container_id> (1,680)
PTN000000065

>  <COMPOUND_NUMBER> (1,680)
WAY-624922

>  <BAR_CODE_NO> (1,680)
90459102

>  <LOCATION_CODE> (1,680)
PTNCS

>  <AMOUNT_CURRENT> (1,680)
32.2

$$$$
WAY-332730
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   13.2667   -3.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5792    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4042    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5125   -4.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167   -6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7250   -9.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -8.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792  -11.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.3125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792    5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542    6.6417    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  9  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 10  1  0  0  0  0
 10  3  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 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  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
 18 16  2  0  0  0  0
  2  4  1  0  0  0  0
  7  8  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,681)
1681

>  <Formula> (1,681)
C16H14BrN3O2S

>  <MolWeight> (1,681)
392.27026

>  <PCAT_CMPD_ID> (1,681)
WAY-332730

>  <CNC_ID> (1,681)
359331266

>  <transfer_container_id> (1,681)
PTN000000067

>  <COMPOUND_NUMBER> (1,681)
WAY-332730

>  <BAR_CODE_NO> (1,681)
307731

>  <LOCATION_CODE> (1,681)
PTNCS

>  <AMOUNT_CURRENT> (1,681)
32.5

$$$$
WAY-624113
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.0667    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.5708    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
    0.3542    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -5.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    2.3333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -4.6792    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  1  2  0  0  0  0
  7 16  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
 14 27  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  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
 20 10  2  0  0  0  0
 21 19  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
 25  4  1  0  0  0  0
 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 17 23  2  0  0  0  0
  3  9  1  0  0  0  0
  7 15  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,682)
1682

>  <Formula> (1,682)
C20H19BrN4O3

>  <MolWeight> (1,682)
443.29386

>  <PCAT_CMPD_ID> (1,682)
WAY-624113

>  <CNC_ID> (1,682)
359322732

>  <transfer_container_id> (1,682)
PTN000000065

>  <COMPOUND_NUMBER> (1,682)
WAY-624113

>  <BAR_CODE_NO> (1,682)
90458287

>  <LOCATION_CODE> (1,682)
PTNCS

>  <AMOUNT_CURRENT> (1,682)
32.4

$$$$
WAY-624835
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.6625   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0375    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.3417    0.0000 Br  0  0  0  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  1  2  0  0  0  0
  6 20  1  0  0  0  0
  7  5  1  0  0  0  0
  8 18  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 22  2  0  0  0  0
 17  6  2  0  0  0  0
 18 24  2  0  0  0  0
 19  5  1  0  0  0  0
 20 12  1  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 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 19 25  2  0  0  0  0
  3  9  1  0  0  0  0
  8  4  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,683)
1683

>  <Formula> (1,683)
C18H14BrN3O4

>  <MolWeight> (1,683)
416.22546

>  <PCAT_CMPD_ID> (1,683)
WAY-624835

>  <CNC_ID> (1,683)
359323256

>  <transfer_container_id> (1,683)
PTN000000065

>  <COMPOUND_NUMBER> (1,683)
WAY-624835

>  <BAR_CODE_NO> (1,683)
90459013

>  <LOCATION_CODE> (1,683)
PTNCS

>  <AMOUNT_CURRENT> (1,683)
32.5

$$$$
WAY-642747
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.2728   -2.2159    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6022    3.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6022    4.8925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0147    4.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -1.2659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605    1.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -4.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5522    3.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522    0.6383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770   -3.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5522    4.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8645   -4.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5603   -3.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2270   -1.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772   -2.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6353   -0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0147   -1.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270    0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397    1.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520   -3.5534    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6395   -5.5117    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8270   -4.7409    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853    4.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855   -3.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230    3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230    5.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   -5.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2228   -4.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4853    4.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    3.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    4.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  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 13  1  0  0  0  0
  9  2  1  0  0  0  0
 10 20  1  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13 14  1  0  0  0  0
 14 11  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  5  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  6  2  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24  8  1  0  0  0  0
 25  4  1  0  0  0  0
 26 11  1  0  0  0  0
 27  9  1  0  0  0  0
 28 12  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
 31 25  1  0  0  0  0
 32 27  2  0  0  0  0
 33 32  1  0  0  0  0
 19 10  1  0  0  0  0
 13 29  2  0  0  0  0
  3 12  1  0  0  0  0
 28 33  2  0  0  0  0
M  END
>  <Mol_ID> (1,684)
1684

>  <Formula> (1,684)
C22H23F3N4O3S

>  <MolWeight> (1,684)
480.5032296

>  <PCAT_CMPD_ID> (1,684)
WAY-642747

>  <CNC_ID> (1,684)
359324485

>  <transfer_container_id> (1,684)
PTN000000065

>  <COMPOUND_NUMBER> (1,684)
WAY-642747

>  <BAR_CODE_NO> (1,684)
90477310

>  <LOCATION_CODE> (1,684)
PTNCS

>  <AMOUNT_CURRENT> (1,684)
32.6

$$$$
WAY-643079
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.9625   -2.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.2208    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
   -0.0583    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.8500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    2.6750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    3.0875    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  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 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  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  5  1  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 15  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  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 17  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 28  9  1  0  0  0  0
 29 11  1  0  0  0  0
 30 17  1  0  0  0  0
 31 26  1  0  0  0  0
 32 28  2  0  0  0  0
 33 32  1  0  0  0  0
 12 19  1  0  0  0  0
 25 27  2  0  0  0  0
 11  4  1  0  0  0  0
 33 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,685)
1685

>  <Formula> (1,685)
C22H23F3N4O3S

>  <MolWeight> (1,685)
480.5032296

>  <PCAT_CMPD_ID> (1,685)
WAY-643079

>  <CNC_ID> (1,685)
359324817

>  <transfer_container_id> (1,685)
PTN000000065

>  <COMPOUND_NUMBER> (1,685)
WAY-643079

>  <BAR_CODE_NO> (1,685)
90477647

>  <LOCATION_CODE> (1,685)
PTNCS

>  <AMOUNT_CURRENT> (1,685)
32.6

$$$$
WAY-624003
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3958    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.6875    0.0000 N   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
   -1.1083    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.8625    0.0000 C   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
    1.7500   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.3750    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
   -2.5333    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    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  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  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  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  5  2  0  0  0  0
 15  3  2  0  0  0  0
 16  5  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  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 14  4  1  0  0  0  0
 11 13  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,686)
1686

>  <Formula> (1,686)
C15H15N5OS

>  <MolWeight> (1,686)
313.3775

>  <PCAT_CMPD_ID> (1,686)
WAY-624003

>  <CNC_ID> (1,686)
359322623

>  <transfer_container_id> (1,686)
PTN000000065

>  <COMPOUND_NUMBER> (1,686)
WAY-624003

>  <BAR_CODE_NO> (1,686)
90458177

>  <LOCATION_CODE> (1,686)
PTNCS

>  <AMOUNT_CURRENT> (1,686)
32.9

$$$$
WAY-624471
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.4125   -2.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.5333    0.0000 C   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
   -0.3000   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.7042    0.0000 O   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
    0.4125    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    4.1667    0.0000 C   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    3.7708    0.0000 C   0  0  0  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  7  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  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  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  2  0  0  0  0
 15 24  1  0  0  0  0
 16  4  1  0  0  0  0
 17 20  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  2  0  0  0  0
 21 26  1  0  0  0  0
 22  2  1  0  0  0  0
 23  2  1  0  0  0  0
 24 12  1  0  0  0  0
 25  4  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 17  1  0  0  0  0
 29 16  1  0  0  0  0
 30 25  2  0  0  0  0
 31 30  1  0  0  0  0
 21 27  1  0  0  0  0
 17  6  2  0  0  0  0
 13 16  2  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,687)
1687

>  <Formula> (1,687)
C21H22N4O5S

>  <MolWeight> (1,687)
442.48818

>  <PCAT_CMPD_ID> (1,687)
WAY-624471

>  <CNC_ID> (1,687)
359322892

>  <transfer_container_id> (1,687)
PTN000000065

>  <COMPOUND_NUMBER> (1,687)
WAY-624471

>  <BAR_CODE_NO> (1,687)
90458647

>  <LOCATION_CODE> (1,687)
PTNCS

>  <AMOUNT_CURRENT> (1,687)
32.8

$$$$
WAY-643136
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.8958    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.5958    0.0000 N   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
   -0.0083    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.8333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3792   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    3.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -2.1625    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
   -4.4708    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -3.4000    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  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 12  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12 11  2  0  0  0  0
 13 16  1  0  0  0  0
 14  4  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  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20  2  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  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 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
  5  4  2  0  0  0  0
 17 15  2  0  0  0  0
 25 26  1  0  0  0  0
  7  8  2  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,688)
1688

>  <Formula> (1,688)
C21H18N4O2S2

>  <MolWeight> (1,688)
422.52322

>  <PCAT_CMPD_ID> (1,688)
WAY-643136

>  <CNC_ID> (1,688)
359324874

>  <transfer_container_id> (1,688)
PTN000000065

>  <COMPOUND_NUMBER> (1,688)
WAY-643136

>  <BAR_CODE_NO> (1,688)
90477705

>  <LOCATION_CODE> (1,688)
PTNCS

>  <AMOUNT_CURRENT> (1,688)
32.6

$$$$
WAY-333258
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.5690    3.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    1.4006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9944    2.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1684    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3980    4.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7233    2.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7878    4.5270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925    1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8374    5.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0958    0.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6255    5.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3296    1.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655    4.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    2.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3637    3.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0174    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0496    6.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    2.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8939    8.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8508    6.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792    7.9085    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  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  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  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15  8  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 15  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 21  1  0  0  0  0
  6  2  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,689)
1689

>  <Formula> (1,689)
C18H28N2O3

>  <MolWeight> (1,689)
320.42652

>  <PCAT_CMPD_ID> (1,689)
WAY-333258

>  <CNC_ID> (1,689)
359331793

>  <transfer_container_id> (1,689)
PTN000000067

>  <COMPOUND_NUMBER> (1,689)
WAY-333258

>  <BAR_CODE_NO> (1,689)
308259

>  <LOCATION_CODE> (1,689)
PTNCS

>  <AMOUNT_CURRENT> (1,689)
32.5

$$$$
WAY-333255
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.8686    6.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0436    6.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7814    6.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4502    5.5686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1176    6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3563    7.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1739    7.4057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224    7.2245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9977    5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6400    7.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0248    8.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5039    6.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6630    8.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4777    7.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3274    6.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8224    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9715    6.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1262    7.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5619    7.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9043    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937    6.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2885    6.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9467    7.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7891    6.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1091    6.8621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070    6.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6588    0.0000 C   0  0  0  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 14  1  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  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  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 10  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 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 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
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,690)
1690

>  <Formula> (1,690)
C20H24FN3O3

>  <MolWeight> (1,690)
373.4212632

>  <PCAT_CMPD_ID> (1,690)
WAY-333255

>  <CNC_ID> (1,690)
359331790

>  <transfer_container_id> (1,690)
PTN000000067

>  <COMPOUND_NUMBER> (1,690)
WAY-333255

>  <BAR_CODE_NO> (1,690)
308256

>  <LOCATION_CODE> (1,690)
PTNCS

>  <AMOUNT_CURRENT> (1,690)
32.5

$$$$
WAY-332915
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.8417   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -5.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -6.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -9.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -5.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -7.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -8.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667  -10.3542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -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  2  1  0  0  0  0
  5  3  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  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12 17  1  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 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  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 13  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
  4  5  2  0  0  0  0
 16 15  2  0  0  0  0
 24 17  2  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,691)
1691

>  <Formula> (1,691)
C17H11BrN4O2

>  <MolWeight> (1,691)
383.19884

>  <PCAT_CMPD_ID> (1,691)
WAY-332915

>  <CNC_ID> (1,691)
359331450

>  <transfer_container_id> (1,691)
PTN000000067

>  <COMPOUND_NUMBER> (1,691)
WAY-332915

>  <BAR_CODE_NO> (1,691)
307916

>  <LOCATION_CODE> (1,691)
PTNCS

>  <AMOUNT_CURRENT> (1,691)
32.5

$$$$
WAY-334021
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -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
    0.4417    1.7125    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
    0.0292    2.4250    0.0000 C   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
   -0.7958    2.4208    0.0000 N   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
   -4.5833    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    3.1458    0.0000 O   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
   -0.7750    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.4458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    1.0125    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  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  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  5  1  0  0  0  0
 14  7  2  0  0  0  0
 15  4  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 13  2  0  0  0  0
 20 12  1  0  0  0  0
 11 10  2  0  0  0  0
  6  4  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,692)
1692

>  <Formula> (1,692)
C13H9ClFN3OS

>  <MolWeight> (1,692)
309.7464632

>  <PCAT_CMPD_ID> (1,692)
WAY-334021

>  <CNC_ID> (1,692)
359332554

>  <transfer_container_id> (1,692)
PTN000000067

>  <COMPOUND_NUMBER> (1,692)
WAY-334021

>  <BAR_CODE_NO> (1,692)
309022

>  <LOCATION_CODE> (1,692)
PTNCS

>  <AMOUNT_CURRENT> (1,692)
32.5

$$$$
WAY-641955
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0875    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    2.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    5.1542    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  8  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  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  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  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 20  2  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 18  1  0  0  0  0
 23 15  2  0  0  0  0
 24 15  1  0  0  0  0
 25 22  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
  9  3  1  0  0  0  0
 12 10  2  0  0  0  0
 28 27  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,693)
1693

>  <Formula> (1,693)
C21H17N3O3S

>  <MolWeight> (1,693)
391.44298

>  <PCAT_CMPD_ID> (1,693)
WAY-641955

>  <CNC_ID> (1,693)
359323693

>  <transfer_container_id> (1,693)
PTN000000065

>  <COMPOUND_NUMBER> (1,693)
WAY-641955

>  <BAR_CODE_NO> (1,693)
90476508

>  <LOCATION_CODE> (1,693)
PTNCS

>  <AMOUNT_CURRENT> (1,693)
32.5

$$$$
WAY-643366
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4000    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    3.4208    0.0000 C   0  0  0  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  7  1  0  0  0  0
  9  8  2  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 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  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  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
 23 14  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
  5  4  2  0  0  0  0
 25 22  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,694)
1694

>  <Formula> (1,694)
C19H22N6

>  <MolWeight> (1,694)
334.41818

>  <PCAT_CMPD_ID> (1,694)
WAY-643366

>  <CNC_ID> (1,694)
359325104

>  <transfer_container_id> (1,694)
PTN000000065

>  <COMPOUND_NUMBER> (1,694)
WAY-643366

>  <BAR_CODE_NO> (1,694)
90477937

>  <LOCATION_CODE> (1,694)
PTNCS

>  <AMOUNT_CURRENT> (1,694)
32.7

$$$$
WAY-330675
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   14.3625   -3.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9125   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5125   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -5.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7625   -6.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8000   -3.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -7.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000   -7.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -6.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8375   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6625   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375   -7.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  5  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  2  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  2  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14 18  2  0  0  0  0
 15  8  1  0  0  0  0
 16 19  1  0  0  0  0
 17  2  1  0  0  0  0
 18  4  1  0  0  0  0
 19 15  2  0  0  0  0
 20 11  1  0  0  0  0
 21 24  1  0  0  0  0
 22  4  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 28  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
 25 14  1  0  0  0  0
  5 21  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,695)
1695

>  <Formula> (1,695)
C19H23N3O5S

>  <MolWeight> (1,695)
405.46802

>  <PCAT_CMPD_ID> (1,695)
WAY-330675

>  <CNC_ID> (1,695)
359318030

>  <transfer_container_id> (1,695)
PTN000000065

>  <COMPOUND_NUMBER> (1,695)
WAY-330675

>  <BAR_CODE_NO> (1,695)
305676

>  <LOCATION_CODE> (1,695)
PTNCS

>  <AMOUNT_CURRENT> (1,695)
32.5

$$$$
WAY-330382
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.1875   -9.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -7.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875  -10.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875  -14.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125  -14.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -9.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -9.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750  -14.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000  -14.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -7.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375  -14.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875  -12.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500  -11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125  -11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000  -12.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500  -14.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500  -12.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750  -12.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375  -14.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375  -12.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -7.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375  -11.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875   -6.1125    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 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 12  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 18  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 21  2  0  0  0  0
 17  5  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 23  1  0  0  0  0
 22  2  1  0  0  0  0
 23 12  2  0  0  0  0
 24 10  1  0  0  0  0
 25 16  1  0  0  0  0
 26 22  2  0  0  0  0
 27 11  2  0  0  0  0
 28 26  1  0  0  0  0
 29 20  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
 19 13  1  0  0  0  0
 28 20  2  0  0  0  0
 32 27  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,696)
1696

>  <Formula> (1,696)
C23H25N3O5S

>  <MolWeight> (1,696)
455.5267

>  <PCAT_CMPD_ID> (1,696)
WAY-330382

>  <CNC_ID> (1,696)
359317737

>  <transfer_container_id> (1,696)
PTN000000065

>  <COMPOUND_NUMBER> (1,696)
WAY-330382

>  <BAR_CODE_NO> (1,696)
305383

>  <LOCATION_CODE> (1,696)
PTNCS

>  <AMOUNT_CURRENT> (1,696)
32.5

$$$$
WAY-330240
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.7528    8.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0395    7.7223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3261    8.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528    8.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3331    8.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5354    7.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197    7.7269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0248    8.5510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0464    9.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197    9.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110    8.9620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110    8.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0395    6.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5400    9.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3261    6.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7917    7.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197   10.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3123    5.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528    6.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7986   10.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6128    6.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7528    5.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0256    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5927    6.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2353    6.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5990    5.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8559    6.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4915    5.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2972    5.5245    0.0000 C   0  0  0  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  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  2  0  0  0  0
 18 12  2  0  0  0  0
 19 15  2  0  0  0  0
 20 13  2  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 23  2  0  0  0  0
 25 16  1  0  0  0  0
 26 16  2  0  0  0  0
 27 19  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
 14  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
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,697)
1697

>  <Formula> (1,697)
C23H19N5O2

>  <MolWeight> (1,697)
397.42926

>  <PCAT_CMPD_ID> (1,697)
WAY-330240

>  <CNC_ID> (1,697)
359317605

>  <transfer_container_id> (1,697)
PTN000000065

>  <COMPOUND_NUMBER> (1,697)
WAY-330240

>  <BAR_CODE_NO> (1,697)
305241

>  <LOCATION_CODE> (1,697)
PTNCS

>  <AMOUNT_CURRENT> (1,697)
32.5

$$$$
WAY-333946
csChFnd80/11182011152D

 24 26  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
   -3.1333    2.9083    0.0000 N   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
   -3.1208    1.5708    0.0000 N   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
   -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
   -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
   -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
   -4.4583    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
   -0.2000    3.8833    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
   -0.9125    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    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  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  3  1  0  0  0  0
  8  6  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  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  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 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
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
  4  2  1  0  0  0  0
  9  7  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,698)
1698

>  <Formula> (1,698)
C17H19N5O2

>  <MolWeight> (1,698)
325.36506

>  <PCAT_CMPD_ID> (1,698)
WAY-333946

>  <CNC_ID> (1,698)
359332479

>  <transfer_container_id> (1,698)
PTN000000067

>  <COMPOUND_NUMBER> (1,698)
WAY-333946

>  <BAR_CODE_NO> (1,698)
308947

>  <LOCATION_CODE> (1,698)
PTNCS

>  <AMOUNT_CURRENT> (1,698)
32.5

$$$$
WAY-333937
csChFnd80/11182011152D

 24 26  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
   -3.1208    1.5708    0.0000 N   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
   -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
   -3.3875    3.6833    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
   -1.6250    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
   -0.2000    3.8833    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
   -2.5500    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    4.2792    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  3  1  0  0  0  0
  8 10  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  4  2  0  0  0  0
 13  9  2  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  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 18  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
  2  5  1  0  0  0  0
 21 17  2  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (1,699)
1699

>  <Formula> (1,699)
C17H19N5O2

>  <MolWeight> (1,699)
325.36506

>  <PCAT_CMPD_ID> (1,699)
WAY-333937

>  <CNC_ID> (1,699)
359332470

>  <transfer_container_id> (1,699)
PTN000000067

>  <COMPOUND_NUMBER> (1,699)
WAY-333937

>  <BAR_CODE_NO> (1,699)
308938

>  <LOCATION_CODE> (1,699)
PTNCS

>  <AMOUNT_CURRENT> (1,699)
32.5

$$$$
WAY-643199
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.9583    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -2.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    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  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  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  5  1  0  0  0  0
 17  8  2  0  0  0  0
 18 16  2  0  0  0  0
 19  2  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 12  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  9 12  2  0  0  0  0
 24 22  2  0  0  0  0
 10  4  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,700)
1700

>  <Formula> (1,700)
C18H14N2O3S

>  <MolWeight> (1,700)
338.38036

>  <PCAT_CMPD_ID> (1,700)
WAY-643199

>  <CNC_ID> (1,700)
359324937

>  <transfer_container_id> (1,700)
PTN000000065

>  <COMPOUND_NUMBER> (1,700)
WAY-643199

>  <BAR_CODE_NO> (1,700)
90477769

>  <LOCATION_CODE> (1,700)
PTNCS

>  <AMOUNT_CURRENT> (1,700)
32.3

$$$$
WAY-278446
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.0000   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    2.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2917    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -2.3875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458   -2.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -1.7042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.3125    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  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  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  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  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  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
  3  5  2  0  0  0  0
 15 17  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,701)
1701

>  <Formula> (1,701)
C16H9F3N2O2S2

>  <MolWeight> (1,701)
382.3800696

>  <PCAT_CMPD_ID> (1,701)
WAY-278446

>  <CNC_ID> (1,701)
359327166

>  <transfer_container_id> (1,701)
PTN000000067

>  <COMPOUND_NUMBER> (1,701)
WAY-278446

>  <BAR_CODE_NO> (1,701)
389101

>  <LOCATION_CODE> (1,701)
PTNCS

>  <AMOUNT_CURRENT> (1,701)
32.5

$$$$
WAY-278362
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.1729    1.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040    1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6557    1.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6557    2.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7143    2.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5971    0.9123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    2.2227    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5798    2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443    0.8192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443   -0.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8374   -0.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729   -0.5808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8374   -1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -2.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4719   -0.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4719   -1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305   -2.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2926   -0.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3098   -2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133   -3.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1098   -0.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1098   -1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 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  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
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,702)
1702

>  <Formula> (1,702)
C17H16N2O4S2

>  <MolWeight> (1,702)
376.44994

>  <PCAT_CMPD_ID> (1,702)
WAY-278362

>  <CNC_ID> (1,702)
359327082

>  <transfer_container_id> (1,702)
PTN000000067

>  <COMPOUND_NUMBER> (1,702)
WAY-278362

>  <BAR_CODE_NO> (1,702)
389017

>  <LOCATION_CODE> (1,702)
PTNCS

>  <AMOUNT_CURRENT> (1,702)
32.5

$$$$
WAY-643779
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.6333    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    2.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -1.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.6667    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  2  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 13  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  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  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17  4  1  0  0  0  0
 12  7  1  0  0  0  0
 11  5  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,703)
1703

>  <Formula> (1,703)
C12H11N3S2

>  <MolWeight> (1,703)
261.36584

>  <PCAT_CMPD_ID> (1,703)
WAY-643779

>  <CNC_ID> (1,703)
359325517

>  <transfer_container_id> (1,703)
PTN000000065

>  <COMPOUND_NUMBER> (1,703)
WAY-643779

>  <BAR_CODE_NO> (1,703)
90478351

>  <LOCATION_CODE> (1,703)
PTNCS

>  <AMOUNT_CURRENT> (1,703)
33

$$$$
WAY-623592
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.1917    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    2.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -3.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -4.0167    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 11  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  2  0  0  0  0
 11 15  1  0  0  0  0
 12  7  1  0  0  0  0
 13 16  2  0  0  0  0
 14  8  2  0  0  0  0
 15 19  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  2  0  0  0  0
 19 17  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
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,704)
1704

>  <Formula> (1,704)
C14H14N4O3S

>  <MolWeight> (1,704)
318.35096

>  <PCAT_CMPD_ID> (1,704)
WAY-623592

>  <CNC_ID> (1,704)
359322212

>  <transfer_container_id> (1,704)
PTN000000065

>  <COMPOUND_NUMBER> (1,704)
WAY-623592

>  <BAR_CODE_NO> (1,704)
90457761

>  <LOCATION_CODE> (1,704)
PTNCS

>  <AMOUNT_CURRENT> (1,704)
32.8

$$$$
WAY-641711
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.7792   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    3.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -4.1542    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  8  2  0  0  0  0
  6  4  2  0  0  0  0
  7  5  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  7  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  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
  3  6  1  0  0  0  0
 21 20  1  0  0  0  0
  9  7  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,705)
1705

>  <Formula> (1,705)
C15H9ClN4O2S

>  <MolWeight> (1,705)
344.77556

>  <PCAT_CMPD_ID> (1,705)
WAY-641711

>  <CNC_ID> (1,705)
359323449

>  <transfer_container_id> (1,705)
PTN000000065

>  <COMPOUND_NUMBER> (1,705)
WAY-641711

>  <BAR_CODE_NO> (1,705)
90476263

>  <LOCATION_CODE> (1,705)
PTNCS

>  <AMOUNT_CURRENT> (1,705)
32.5

$$$$
WAY-643460
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.3458    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    1.7833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -3.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -3.4250    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  2  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 13  1  0  0  0  0
 11 10  2  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 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19  7  1  0  0  0  0
 20 12  2  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  2  0  0  0  0
 24 30  1  0  0  0  0
 25 14  2  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 16  1  0  0  0  0
 29 16  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
 32 18  1  0  0  0  0
 33 27  1  0  0  0  0
  9  8  1  0  0  0  0
  7  5  1  0  0  0  0
 21 22  2  0  0  0  0
 17 26  2  0  0  0  0
 24 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,706)
1706

>  <Formula> (1,706)
C24H23N3O4S2

>  <MolWeight> (1,706)
481.58712

>  <PCAT_CMPD_ID> (1,706)
WAY-643460

>  <CNC_ID> (1,706)
359325198

>  <transfer_container_id> (1,706)
PTN000000065

>  <COMPOUND_NUMBER> (1,706)
WAY-643460

>  <BAR_CODE_NO> (1,706)
90478032

>  <LOCATION_CODE> (1,706)
PTNCS

>  <AMOUNT_CURRENT> (1,706)
32.7

$$$$
WAY-330746
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    3.5712    9.3195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448    7.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    9.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    7.4508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036    7.5137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2563    9.7720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1180    8.5323    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4041    8.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7754    7.3006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    4.8393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404    9.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7944    3.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2364    9.8288    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0294    2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0551    6.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1795    7.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125    4.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    6.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3730   11.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067   11.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5590   11.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3639   11.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9807    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1762    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8356    2.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1112    1.1484    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  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  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 13  2  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  4  1  0  0  0  0
 21 12  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 24  1  0  0  0  0
 26  9  1  0  0  0  0
 27 13  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
  6  9  1  0  0  0  0
  3  5  1  0  0  0  0
 22 23  2  0  0  0  0
 11 18  1  0  0  0  0
 29 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,707)
1707

>  <Formula> (1,707)
C20H20ClN5OS2

>  <MolWeight> (1,707)
445.9887

>  <PCAT_CMPD_ID> (1,707)
WAY-330746

>  <CNC_ID> (1,707)
359318101

>  <transfer_container_id> (1,707)
PTN000000065

>  <COMPOUND_NUMBER> (1,707)
WAY-330746

>  <BAR_CODE_NO> (1,707)
305747

>  <LOCATION_CODE> (1,707)
PTNCS

>  <AMOUNT_CURRENT> (1,707)
32.5

$$$$
WAY-643457
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.5292   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    2.0458    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
   -0.6125    2.8708    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
   -1.3333    3.2833    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  9  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 13  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 11  1  0  0  0  0
 14 15  2  0  0  0  0
 15  4  1  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 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 14 16  1  0  0  0  0
  5 10  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,708)
1708

>  <Formula> (1,708)
C17H12N2O2

>  <MolWeight> (1,708)
276.28938

>  <PCAT_CMPD_ID> (1,708)
WAY-643457

>  <CNC_ID> (1,708)
359325195

>  <transfer_container_id> (1,708)
PTN000000065

>  <COMPOUND_NUMBER> (1,708)
WAY-643457

>  <BAR_CODE_NO> (1,708)
90478029

>  <LOCATION_CODE> (1,708)
PTNCS

>  <AMOUNT_CURRENT> (1,708)
32.6

$$$$
WAY-616989
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6375   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    2.1083    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 12  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  7  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  4  2  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17 19  2  0  0  0  0
 18 10  2  0  0  0  0
 19 11  1  0  0  0  0
  9 15  2  0  0  0  0
  6  4  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,709)
1709

>  <Formula> (1,709)
C14H10N2O3

>  <MolWeight> (1,709)
254.2408

>  <PCAT_CMPD_ID> (1,709)
WAY-616989

>  <CNC_ID> (1,709)
359322075

>  <transfer_container_id> (1,709)
PTN000000065

>  <COMPOUND_NUMBER> (1,709)
WAY-616989

>  <BAR_CODE_NO> (1,709)
90450990

>  <LOCATION_CODE> (1,709)
PTNCS

>  <AMOUNT_CURRENT> (1,709)
32

$$$$
WAY-642327
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.6750    0.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.9500    0.0000 N   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
    2.0875   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.3625    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
   -0.4708   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    1.9375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -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 13  1  0  0  0  0
  5 21  1  0  0  0  0
  6 17  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 23  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14 24  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 19  2  0  0  0  0
 18  3  1  0  0  0  0
 19 20  1  0  0  0  0
 20  5  1  0  0  0  0
 21 10  1  0  0  0  0
 22  9  1  0  0  0  0
 23 26  2  0  0  0  0
 24 18  2  0  0  0  0
 25 14  1  0  0  0  0
 26 19  1  0  0  0  0
  5 22  1  0  0  0  0
 14  4  2  0  0  0  0
 11  6  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,710)
1710

>  <Formula> (1,710)
C17H18ClN3O4S

>  <MolWeight> (1,710)
395.86052

>  <PCAT_CMPD_ID> (1,710)
WAY-642327

>  <CNC_ID> (1,710)
359324065

>  <transfer_container_id> (1,710)
PTN000000065

>  <COMPOUND_NUMBER> (1,710)
WAY-642327

>  <BAR_CODE_NO> (1,710)
90476886

>  <LOCATION_CODE> (1,710)
PTNCS

>  <AMOUNT_CURRENT> (1,710)
32.4

$$$$
WAY-642746
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0042   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    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  2  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  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15 10  2  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  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
  9  5  2  0  0  0  0
 13 12  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,711)
1711

>  <Formula> (1,711)
C14H12N4OS

>  <MolWeight> (1,711)
284.33628

>  <PCAT_CMPD_ID> (1,711)
WAY-642746

>  <CNC_ID> (1,711)
359324484

>  <transfer_container_id> (1,711)
PTN000000065

>  <COMPOUND_NUMBER> (1,711)
WAY-642746

>  <BAR_CODE_NO> (1,711)
90477309

>  <LOCATION_CODE> (1,711)
PTNCS

>  <AMOUNT_CURRENT> (1,711)
32.4

$$$$
WAY-278561
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.1245   -0.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3176   -0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -0.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1686   -2.0095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3107   -1.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5521    0.9905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444   -0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0996    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479   -2.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038   -0.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7487    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2272   -0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7073    0.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5245   -1.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6927    0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720   -1.6888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8479    1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
 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
 12 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 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,712)
1712

>  <Formula> (1,712)
C12H15N5O2

>  <MolWeight> (1,712)
261.2798

>  <PCAT_CMPD_ID> (1,712)
WAY-278561

>  <CNC_ID> (1,712)
359327281

>  <transfer_container_id> (1,712)
PTN000000067

>  <COMPOUND_NUMBER> (1,712)
WAY-278561

>  <BAR_CODE_NO> (1,712)
389216

>  <LOCATION_CODE> (1,712)
PTNCS

>  <AMOUNT_CURRENT> (1,712)
32.5

$$$$
WAY-642257
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.1375   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    4.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -3.2875    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
    0.7292   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -4.6875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -4.2417    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  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 18  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  7  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
 16 15  1  0  0  0  0
 17  2  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 21 22  2  0  0  0  0
 22  9  1  0  0  0  0
 23 21  1  0  0  0  0
 23 15  2  0  0  0  0
  8 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,713)
1713

>  <Formula> (1,713)
C17H19FN2O2S

>  <MolWeight> (1,713)
334.4083632

>  <PCAT_CMPD_ID> (1,713)
WAY-642257

>  <CNC_ID> (1,713)
359323995

>  <transfer_container_id> (1,713)
PTN000000065

>  <COMPOUND_NUMBER> (1,713)
WAY-642257

>  <BAR_CODE_NO> (1,713)
90476814

>  <LOCATION_CODE> (1,713)
PTNCS

>  <AMOUNT_CURRENT> (1,713)
32.6

$$$$
WAY-624748
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0375    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -3.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -4.1042    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  3  1  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  6  2  0  0  0  0
 12  6  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 18  2  0  0  0  0
 17 13  1  0  0  0  0
 18  5  1  0  0  0  0
 19  4  2  0  0  0  0
 20 17  1  0  0  0  0
 16 19  1  0  0  0  0
  3  9  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,714)
1714

>  <Formula> (1,714)
C15H18N4O

>  <MolWeight> (1,714)
270.32962

>  <PCAT_CMPD_ID> (1,714)
WAY-624748

>  <CNC_ID> (1,714)
359323169

>  <transfer_container_id> (1,714)
PTN000000065

>  <COMPOUND_NUMBER> (1,714)
WAY-624748

>  <BAR_CODE_NO> (1,714)
90458925

>  <LOCATION_CODE> (1,714)
PTNCS

>  <AMOUNT_CURRENT> (1,714)
32.7

$$$$
WAY-330393
csChFnd80/11182011152D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.3875   -8.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375  -13.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125  -14.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -9.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875  -12.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750  -14.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750  -14.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4375  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250  -13.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -8.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -8.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875  -12.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -7.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875  -11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -9.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -9.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375  -13.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500  -13.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000  -14.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375  -15.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750  -15.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625  -15.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000  -13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2500   -5.4375    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 11  1  0  0  0  0
  5  1  1  0  0  0  0
  6 16  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  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  1  2  0  0  0  0
 13  1  2  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  5  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  2  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23  7  1  0  0  0  0
 24  2  1  0  0  0  0
 25 20  2  0  0  0  0
 26  8  2  0  0  0  0
 27  9  1  0  0  0  0
 28 24  2  0  0  0  0
 29 26  1  0  0  0  0
 30 15  2  0  0  0  0
 31 28  1  0  0  0  0
 32 29  2  0  0  0  0
 33 23  1  0  0  0  0
 34 25  1  0  0  0  0
 35 33  2  0  0  0  0
 16 22  1  0  0  0  0
 31 23  2  0  0  0  0
 35 30  1  0  0  0  0
  4  9  1  0  0  0  0
 32 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,715)
1715

>  <Formula> (1,715)
C27H32N4O3S

>  <MolWeight> (1,715)
492.63298

>  <PCAT_CMPD_ID> (1,715)
WAY-330393

>  <CNC_ID> (1,715)
359317748

>  <transfer_container_id> (1,715)
PTN000000065

>  <COMPOUND_NUMBER> (1,715)
WAY-330393

>  <BAR_CODE_NO> (1,715)
305394

>  <LOCATION_CODE> (1,715)
PTNCS

>  <AMOUNT_CURRENT> (1,715)
32.5

$$$$
WAY-624410
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.8583   -0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -0.5250    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
    2.4250   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083   -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  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8 12  2  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  5  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  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  3  1  0  0  0  0
 19 13  1  0  0  0  0
 20  6  2  0  0  0  0
 21 17  1  0  0  0  0
 22 13  2  0  0  0  0
 23  7  1  0  0  0  0
 24  4  1  0  0  0  0
 25 11  1  0  0  0  0
 26 12  1  0  0  0  0
 27 28  1  0  0  0  0
 28 24  2  0  0  0  0
  6  3  1  0  0  0  0
 27 23  2  0  0  0  0
 18 21  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,716)
1716

>  <Formula> (1,716)
C20H15NO6S

>  <MolWeight> (1,716)
397.4012

>  <PCAT_CMPD_ID> (1,716)
WAY-624410

>  <CNC_ID> (1,716)
359322831

>  <transfer_container_id> (1,716)
PTN000000065

>  <COMPOUND_NUMBER> (1,716)
WAY-624410

>  <BAR_CODE_NO> (1,716)
90458585

>  <LOCATION_CODE> (1,716)
PTNCS

>  <AMOUNT_CURRENT> (1,716)
32.6

$$$$
WAY-278444
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.9604    0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9604   -0.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604    1.0836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604    1.0836    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604    0.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604   -0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604   -0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2396    0.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146   -0.3164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1979    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4604   -0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604   -0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9979   -0.3331    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8979    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8771   -1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7396   -1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7396    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0229   -1.0956    0.0000 C   0  0  0  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 10  1  0  0  0  0
 10  5  1  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  7  1  0  0  0  0
  8  7  2  0  0  0  0
  5  6  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1717

>  <Formula> (1,717)
C13H11ClN2S2

>  <MolWeight> (1,717)
294.82284

>  <PCAT_CMPD_ID> (1,717)
WAY-278444

>  <CNC_ID> (1,717)
359327164

>  <transfer_container_id> (1,717)
PTN000000067

>  <COMPOUND_NUMBER> (1,717)
WAY-278444

>  <BAR_CODE_NO> (1,717)
389099

>  <LOCATION_CODE> (1,717)
PTNCS

>  <AMOUNT_CURRENT> (1,717)
32.5

$$$$
WAY-330402
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2125   -7.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -9.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875  -12.7708    0.0000 N   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
    5.1500   -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
    6.2125  -11.1750    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
    7.1375   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375  -12.7708    0.0000 O   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
    7.1375  -10.6375    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
    7.1375   -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
    4.3625  -14.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625  -15.4500    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
    6.2125  -15.4500    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
    6.2125  -14.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875  -15.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -4.7500    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
    9.0000   -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  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  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18  2  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  2  0  0  0  0
 22 24  1  0  0  0  0
 23  9  2  0  0  0  0
 24 14  2  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  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
 10 16  1  0  0  0  0
 25 17  2  0  0  0  0
 29 23  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,718)
1718

>  <Formula> (1,718)
C22H23N3O3S

>  <MolWeight> (1,718)
409.50132

>  <PCAT_CMPD_ID> (1,718)
WAY-330402

>  <CNC_ID> (1,718)
359317757

>  <transfer_container_id> (1,718)
PTN000000065

>  <COMPOUND_NUMBER> (1,718)
WAY-330402

>  <BAR_CODE_NO> (1,718)
305403

>  <LOCATION_CODE> (1,718)
PTNCS

>  <AMOUNT_CURRENT> (1,718)
32.5

$$$$
WAY-642272
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7333    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.7667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    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  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  2  0  0  0  0
  9  7  2  0  0  0  0
 10 13  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  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 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  7  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
  5  9  1  0  0  0  0
  8  4  1  0  0  0  0
 25 23  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,719)
1719

>  <Formula> (1,719)
C18H12N2O4S

>  <MolWeight> (1,719)
352.36388

>  <PCAT_CMPD_ID> (1,719)
WAY-642272

>  <CNC_ID> (1,719)
359324010

>  <transfer_container_id> (1,719)
PTN000000065

>  <COMPOUND_NUMBER> (1,719)
WAY-642272

>  <BAR_CODE_NO> (1,719)
90476829

>  <LOCATION_CODE> (1,719)
PTNCS

>  <AMOUNT_CURRENT> (1,719)
32.5

$$$$
WAY-642085
csChFnd80/11182011152D

 32 35  0  0  1  0  0  0  0  0999 V2000
   -2.8708    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -0.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    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  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  8  1  0  0  0  0
 10  6  2  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  9  1  0  0  0  0
 15  3  2  0  0  0  0
 16 20  1  0  0  0  0
 17  9  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  2  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23  7  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  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
 29 21  1  0  0  0  0
 30 22  1  0  0  0  0
 31 23  2  0  0  0  0
 32 31  1  0  0  0  0
  5 11  1  0  0  0  0
 10  4  1  0  0  0  0
 32 24  2  0  0  0  0
 27 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,720)
1720

>  <Formula> (1,720)
C24H23N3O4S

>  <MolWeight> (1,720)
449.52212

>  <PCAT_CMPD_ID> (1,720)
WAY-642085

>  <CNC_ID> (1,720)
359323823

>  <transfer_container_id> (1,720)
PTN000000065

>  <COMPOUND_NUMBER> (1,720)
WAY-642085

>  <BAR_CODE_NO> (1,720)
90476639

>  <LOCATION_CODE> (1,720)
PTNCS

>  <AMOUNT_CURRENT> (1,720)
32.6

$$$$
WAY-334227
csChFnd80/11182011152D

 25 27  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
   -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
   -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
   -6.4542    4.1500    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
   -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
   -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
   -6.4542    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
   -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
   -7.7500    4.1542    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
  2 10  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  5  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 22  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 17  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
 11  2  1  0  0  0  0
 18 14  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,721)
1721

>  <Formula> (1,721)
C19H24N4O2

>  <MolWeight> (1,721)
340.41946

>  <PCAT_CMPD_ID> (1,721)
WAY-334227

>  <CNC_ID> (1,721)
359332760

>  <transfer_container_id> (1,721)
PTN000000067

>  <COMPOUND_NUMBER> (1,721)
WAY-334227

>  <BAR_CODE_NO> (1,721)
309228

>  <LOCATION_CODE> (1,721)
PTNCS

>  <AMOUNT_CURRENT> (1,721)
32.5

$$$$
WAY-334228
csChFnd80/11182011152D

 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
   -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    4.1542    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
   -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
   -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
   -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
   -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 21  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  8  1  0  0  0  0
 22 18  1  0  0  0  0
 23  8  2  0  0  0  0
 24 28  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  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 25  1  0  0  0  0
 31 29  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
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,722)
1722

>  <Formula> (1,722)
C25H34N4O2

>  <MolWeight> (1,722)
422.56306

>  <PCAT_CMPD_ID> (1,722)
WAY-334228

>  <CNC_ID> (1,722)
359332761

>  <transfer_container_id> (1,722)
PTN000000067

>  <COMPOUND_NUMBER> (1,722)
WAY-334228

>  <BAR_CODE_NO> (1,722)
309229

>  <LOCATION_CODE> (1,722)
PTNCS

>  <AMOUNT_CURRENT> (1,722)
32.5

$$$$
WAY-334238
csChFnd80/11182011152D

 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    5.2792    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
   -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
   -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    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
   -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
   -2.4000    3.4208    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    4.1542    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
   -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
   -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
   -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 13  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  5  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  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  4  2  0  0  0  0
 16  3  2  0  0  0  0
 17  9  1  0  0  0  0
 18 25  2  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  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 10  1  0  0  0  0
 26 22  1  0  0  0  0
 27 10  2  0  0  0  0
 28 30  2  0  0  0  0
 29 26  1  0  0  0  0
 30 27  1  0  0  0  0
  2 14  1  0  0  0  0
 28 18  1  0  0  0  0
 22 24  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,723)
1723

>  <Formula> (1,723)
C23H26N4O3

>  <MolWeight> (1,723)
406.47754

>  <PCAT_CMPD_ID> (1,723)
WAY-334238

>  <CNC_ID> (1,723)
359332771

>  <transfer_container_id> (1,723)
PTN000000067

>  <COMPOUND_NUMBER> (1,723)
WAY-334238

>  <BAR_CODE_NO> (1,723)
309239

>  <LOCATION_CODE> (1,723)
PTNCS

>  <AMOUNT_CURRENT> (1,723)
32.5

$$$$
WAY-334249
csChFnd80/11182011152D

 27 29  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
   -5.1583    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
   -1.2708    5.6542    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
   -7.1042    4.5250    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
   -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
   -2.5583    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 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 17  2  0  0  0  0
 15  5  2  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  5  1  0  0  0  0
 20  8  2  0  0  0  0
 21 25  2  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 18  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
  2 11  1  0  0  0  0
 27 22  2  0  0  0  0
 21 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,724)
1724

>  <Formula> (1,724)
C20H26N4O3

>  <MolWeight> (1,724)
370.44544

>  <PCAT_CMPD_ID> (1,724)
WAY-334249

>  <CNC_ID> (1,724)
359332782

>  <transfer_container_id> (1,724)
PTN000000067

>  <COMPOUND_NUMBER> (1,724)
WAY-334249

>  <BAR_CODE_NO> (1,724)
309250

>  <LOCATION_CODE> (1,724)
PTNCS

>  <AMOUNT_CURRENT> (1,724)
32.5

$$$$
WAY-334111
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6000    3.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500    3.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4333    1.8333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    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  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  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  2  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14 17  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  4  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
  5  3  1  0  0  0  0
  9 13  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1725

>  <Formula> (1,725)
C16H14FN3O

>  <MolWeight> (1,725)
283.3002632

>  <PCAT_CMPD_ID> (1,725)
WAY-334111

>  <CNC_ID> (1,725)
359332644

>  <transfer_container_id> (1,725)
PTN000000067

>  <COMPOUND_NUMBER> (1,725)
WAY-334111

>  <BAR_CODE_NO> (1,725)
309112

>  <LOCATION_CODE> (1,725)
PTNCS

>  <AMOUNT_CURRENT> (1,725)
32.5

$$$$
WAY-334196
csChFnd80/11182011152D

 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
   -3.8625    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6083    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.6583    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
   -3.8750    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6125   -0.0417    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  7  1  0  0  0  0
 12 16  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 10  1  0  0  0  0
 18 10  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 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
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,726)
1726

>  <Formula> (1,726)
C18H23N3O2

>  <MolWeight> (1,726)
313.39412

>  <PCAT_CMPD_ID> (1,726)
WAY-334196

>  <CNC_ID> (1,726)
359332729

>  <transfer_container_id> (1,726)
PTN000000067

>  <COMPOUND_NUMBER> (1,726)
WAY-334196

>  <BAR_CODE_NO> (1,726)
309197

>  <LOCATION_CODE> (1,726)
PTNCS

>  <AMOUNT_CURRENT> (1,726)
32.5

$$$$
WAY-334479
csChFnd80/11182011152D

 25 28  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
    0.8292    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    4.0792    0.0000 N   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
    1.1042    4.6917    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    3.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    5.4792    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
    1.9167    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    6.0917    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
    2.4667    5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    5.9417    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  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 12  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  3  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
 19 13  2  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  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
  7  9  2  0  0  0  0
  6  8  2  0  0  0  0
 23 22  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,727)
1727

>  <Formula> (1,727)
C19H15N3O3

>  <MolWeight> (1,727)
333.3407

>  <PCAT_CMPD_ID> (1,727)
WAY-334479

>  <CNC_ID> (1,727)
359333012

>  <transfer_container_id> (1,727)
PTN000000067

>  <COMPOUND_NUMBER> (1,727)
WAY-334479

>  <BAR_CODE_NO> (1,727)
309480

>  <LOCATION_CODE> (1,727)
PTNCS

>  <AMOUNT_CURRENT> (1,727)
32.5

$$$$
WAY-334506
csChFnd80/11182011152D

 29 32  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
    0.8667    5.4792    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
    1.1292    4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    5.6542    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
    0.5875    4.0750    0.0000 N   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
   -0.4750    5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    3.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    6.4417    0.0000 O   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
    1.4292    6.0917    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
    1.9417    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    5.9167    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
    2.5042    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    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  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 11  1  0  0  0  0
 10  5  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  1  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16  3  2  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 12  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 11  2  0  0  0  0
 24 19  1  0  0  0  0
 25 28  2  0  0  0  0
 26 20  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
  7 10  2  0  0  0  0
  6  8  2  0  0  0  0
 27 26  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,728)
1728

>  <Formula> (1,728)
C21H17N3O5

>  <MolWeight> (1,728)
391.37678

>  <PCAT_CMPD_ID> (1,728)
WAY-334506

>  <CNC_ID> (1,728)
359333038

>  <transfer_container_id> (1,728)
PTN000000067

>  <COMPOUND_NUMBER> (1,728)
WAY-334506

>  <BAR_CODE_NO> (1,728)
309507

>  <LOCATION_CODE> (1,728)
PTNCS

>  <AMOUNT_CURRENT> (1,728)
32.5

$$$$
WAY-334621
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.9833    6.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    7.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    5.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    5.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    6.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    6.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    5.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    4.2625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    8.2167    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  1  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  1  1  0  0  0  0
 10 18  1  0  0  0  0
 11  9  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  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  8  2  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 25  2  0  0  0  0
 23  4  2  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  6  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  6  5  1  0  0  0  0
 27 29  1  0  0  0  0
 17 10  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,729)
1729

>  <Formula> (1,729)
C21H21ClN4O3

>  <MolWeight> (1,729)
412.86944

>  <PCAT_CMPD_ID> (1,729)
WAY-334621

>  <CNC_ID> (1,729)
359333152

>  <transfer_container_id> (1,729)
PTN000000067

>  <COMPOUND_NUMBER> (1,729)
WAY-334621

>  <BAR_CODE_NO> (1,729)
309622

>  <LOCATION_CODE> (1,729)
PTNCS

>  <AMOUNT_CURRENT> (1,729)
32.5

$$$$
WAY-334707
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.1042   -3.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -4.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5292   -4.9250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7917   -6.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -7.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -8.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -7.8500    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  6  1  0  0  0  0
  3  4  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 13  1  0  0  0  0
 10  2  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  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  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 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 26  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  2  0  0  0  0
 13 16  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,730)
1730

>  <Formula> (1,730)
C20H21N3O3S2

>  <MolWeight> (1,730)
415.52904

>  <PCAT_CMPD_ID> (1,730)
WAY-334707

>  <CNC_ID> (1,730)
359333237

>  <transfer_container_id> (1,730)
PTN000000067

>  <COMPOUND_NUMBER> (1,730)
WAY-334707

>  <BAR_CODE_NO> (1,730)
309708

>  <LOCATION_CODE> (1,730)
PTNCS

>  <AMOUNT_CURRENT> (1,730)
32.5

$$$$
WAY-334723
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3567   -0.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1653   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8007   -0.3738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1653   -1.6578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723   -0.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0153    0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697    0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723   -1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937   -1.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8727    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883   -1.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5907    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937    2.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5907    2.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937    1.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6803   -0.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6803   -1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    3.3132    0.0000 C   0  0  0  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  2  1  0  0  0  0
  4  8  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  8  1  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 17  1  0  0  0  0
 17 14  1  0  0  0  0
 11 18  2  0  0  0  0
 19 13  2  0  0  0  0
 20 15  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,731)
1731

>  <Formula> (1,731)
C16H18N2O2

>  <MolWeight> (1,731)
270.32632

>  <PCAT_CMPD_ID> (1,731)
WAY-334723

>  <CNC_ID> (1,731)
359333253

>  <transfer_container_id> (1,731)
PTN000000067

>  <COMPOUND_NUMBER> (1,731)
WAY-334723

>  <BAR_CODE_NO> (1,731)
309724

>  <LOCATION_CODE> (1,731)
PTNCS

>  <AMOUNT_CURRENT> (1,731)
32.5

$$$$
WAY-334760
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.8292   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -5.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9943   -5.9932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4667   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -5.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4625    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -5.1500    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  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  3  1  0  0  0  0
 11 13  3  0  0  0  0
 12  4  2  0  0  0  0
 13 17  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  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 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
  9  8  2  0  0  0  0
  5  6  2  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,732)
1732

>  <Formula> (1,732)
C17H17N3OS2

>  <MolWeight> (1,732)
343.46638

>  <PCAT_CMPD_ID> (1,732)
WAY-334760

>  <CNC_ID> (1,732)
359333290

>  <transfer_container_id> (1,732)
PTN000000067

>  <COMPOUND_NUMBER> (1,732)
WAY-334760

>  <BAR_CODE_NO> (1,732)
309761

>  <LOCATION_CODE> (1,732)
PTNCS

>  <AMOUNT_CURRENT> (1,732)
32.5

$$$$
WAY-334803
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
  -11.0667    8.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0667   10.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7167    7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2500   11.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2750    8.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3667    8.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7167   11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1542    9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3667   10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    7.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    6.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7167    5.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7292    1.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2500    9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3792    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7542    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1417   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3667    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7167   13.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   11.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4167   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4792    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1042   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3667   14.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   13.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4167   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7542   -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  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 20  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 17  1  0  0  0  0
 15 10  1  0  0  0  0
 16  8  1  0  0  0  0
 17 23  1  0  0  0  0
 18 14  1  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 12  1  0  0  0  0
 24  7  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 18  2  0  0  0  0
 28 22  1  0  0  0  0
 29 22  2  0  0  0  0
 30 24  2  0  0  0  0
 31 25  2  0  0  0  0
 32 27  1  0  0  0  0
 33 32  2  0  0  0  0
  8  4  1  0  0  0  0
  7  9  2  0  0  0  0
 30 31  1  0  0  0  0
 11 19  1  0  0  0  0
 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,733)
1733

>  <Formula> (1,733)
C24H23N7OS

>  <MolWeight> (1,733)
457.55072

>  <PCAT_CMPD_ID> (1,733)
WAY-334803

>  <CNC_ID> (1,733)
359333333

>  <transfer_container_id> (1,733)
PTN000000067

>  <COMPOUND_NUMBER> (1,733)
WAY-334803

>  <BAR_CODE_NO> (1,733)
309804

>  <LOCATION_CODE> (1,733)
PTNCS

>  <AMOUNT_CURRENT> (1,733)
32.5

$$$$
WAY-334842
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.5292   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -1.9417    0.0000 C   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
    2.0667    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    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  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  1  1  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 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 24 25  1  0  0  0  0
  4  6  1  0  0  0  0
 21 15  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,734)
1734

>  <Formula> (1,734)
C20H19FN2OS

>  <MolWeight> (1,734)
354.4410632

>  <PCAT_CMPD_ID> (1,734)
WAY-334842

>  <CNC_ID> (1,734)
359333372

>  <transfer_container_id> (1,734)
PTN000000067

>  <COMPOUND_NUMBER> (1,734)
WAY-334842

>  <BAR_CODE_NO> (1,734)
309843

>  <LOCATION_CODE> (1,734)
PTNCS

>  <AMOUNT_CURRENT> (1,734)
32.5

$$$$
WAY-334843
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.5292   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -1.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -3.4042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.6833    0.0000 C   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
   -0.4958   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.8333    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  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  3  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  2  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20  6  2  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  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 21  1  0  0  0  0
 26 25  1  0  0  0  0
  4  6  1  0  0  0  0
 20 24  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,735)
1735

>  <Formula> (1,735)
C20H18F2N2OS

>  <MolWeight> (1,735)
372.4315264

>  <PCAT_CMPD_ID> (1,735)
WAY-334843

>  <CNC_ID> (1,735)
359333373

>  <transfer_container_id> (1,735)
PTN000000067

>  <COMPOUND_NUMBER> (1,735)
WAY-334843

>  <BAR_CODE_NO> (1,735)
309844

>  <LOCATION_CODE> (1,735)
PTNCS

>  <AMOUNT_CURRENT> (1,735)
32.5

$$$$
WAY-334989
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    4.7792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5708    4.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7500    4.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5833    5.4917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7583    5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    4.8792    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
   -2.9458    2.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    5.1500    0.0000 O   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
   -4.5833    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -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  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  7  1  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  2  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 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 15  1  0  0  0  0
 21 20  1  0  0  0  0
  5  4  1  0  0  0  0
 15 19  1  0  0  0  0
 10  7  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,736)
1736

>  <Formula> (1,736)
C17H17NO3

>  <MolWeight> (1,736)
283.32178

>  <PCAT_CMPD_ID> (1,736)
WAY-334989

>  <CNC_ID> (1,736)
359333519

>  <transfer_container_id> (1,736)
PTN000000067

>  <COMPOUND_NUMBER> (1,736)
WAY-334989

>  <BAR_CODE_NO> (1,736)
309990

>  <LOCATION_CODE> (1,736)
PTNCS

>  <AMOUNT_CURRENT> (1,736)
32.5

$$$$
WAY-334991
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.8708    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    4.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5583    4.0750    0.0000 C   0  0  3  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
   -4.5833    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    1.3250    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
   -3.8708    1.3250    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
  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  3  2  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 13  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  7  2  0  0  0  0
 17 10  2  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
  4  5  1  0  0  0  0
 12 11  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,737)
1737

>  <Formula> (1,737)
C16H17NO3

>  <MolWeight> (1,737)
271.31108

>  <PCAT_CMPD_ID> (1,737)
WAY-334991

>  <CNC_ID> (1,737)
359333521

>  <transfer_container_id> (1,737)
PTN000000067

>  <COMPOUND_NUMBER> (1,737)
WAY-334991

>  <BAR_CODE_NO> (1,737)
309992

>  <LOCATION_CODE> (1,737)
PTNCS

>  <AMOUNT_CURRENT> (1,737)
32.5

$$$$
WAY-335032
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.0750    0.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.0958    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
    2.2292    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    0.3625    0.0000 C   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
   -0.6333   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    2.8500    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 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  1  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  4  1  0  0  0  0
 12 19  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  4  2  0  0  0  0
 17 11  1  0  0  0  0
 18  8  2  0  0  0  0
 19 18  1  0  0  0  0
 20 25  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  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 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 23  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
  5 12  1  0  0  0  0
  2  6  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,738)
1738

>  <Formula> (1,738)
C22H23N3O5S

>  <MolWeight> (1,738)
441.50012

>  <PCAT_CMPD_ID> (1,738)
WAY-335032

>  <CNC_ID> (1,738)
359333562

>  <transfer_container_id> (1,738)
PTN000000067

>  <COMPOUND_NUMBER> (1,738)
WAY-335032

>  <BAR_CODE_NO> (1,738)
310033

>  <LOCATION_CODE> (1,738)
PTNCS

>  <AMOUNT_CURRENT> (1,738)
32.5

$$$$
WAY-335035
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.9356    1.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5727    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6391    1.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    3.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0601    3.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6391    3.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8462    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8462    4.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0601    1.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2686    4.0274    0.0000 C   0  0  0  0  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  2  1  0  0  0  0
  8  3  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 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,739)
1739

>  <Formula> (1,739)
C11H14N2O

>  <MolWeight> (1,739)
190.24166

>  <PCAT_CMPD_ID> (1,739)
WAY-335035

>  <CNC_ID> (1,739)
359333565

>  <transfer_container_id> (1,739)
PTN000000067

>  <COMPOUND_NUMBER> (1,739)
WAY-335035

>  <BAR_CODE_NO> (1,739)
310036

>  <LOCATION_CODE> (1,739)
PTNCS

>  <AMOUNT_CURRENT> (1,739)
32.5

$$$$
WAY-335036
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.3292   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    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  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  2  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  7  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
  8  9  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,740)
1740

>  <Formula> (1,740)
C11H14N2O

>  <MolWeight> (1,740)
190.24166

>  <PCAT_CMPD_ID> (1,740)
WAY-335036

>  <CNC_ID> (1,740)
359333566

>  <transfer_container_id> (1,740)
PTN000000067

>  <COMPOUND_NUMBER> (1,740)
WAY-335036

>  <BAR_CODE_NO> (1,740)
310037

>  <LOCATION_CODE> (1,740)
PTNCS

>  <AMOUNT_CURRENT> (1,740)
32.5

$$$$
WAY-335076
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.8514    6.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2867    4.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5132    6.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845    6.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6778    4.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1177    6.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958    3.6207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6075    2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814    5.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    3.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027    1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    7.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0009    2.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0217    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7057    1.2299    0.0000 C   0  0  0  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  7  1  0  0  0  0
  9  3  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  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
  5  6  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,741)
1741

>  <Formula> (1,741)
C14H14O3S

>  <MolWeight> (1,741)
262.32416

>  <PCAT_CMPD_ID> (1,741)
WAY-335076

>  <CNC_ID> (1,741)
359333605

>  <transfer_container_id> (1,741)
PTN000000067

>  <COMPOUND_NUMBER> (1,741)
WAY-335076

>  <BAR_CODE_NO> (1,741)
310077

>  <LOCATION_CODE> (1,741)
PTNCS

>  <AMOUNT_CURRENT> (1,741)
32.5

$$$$
WAY-335091
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.3792   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.5792    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
    3.8417   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    1.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.3542    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  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 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 12  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  5  2  0  0  0  0
 21 23  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,742)
1742

>  <Formula> (1,742)
C18H22N2O3

>  <MolWeight> (1,742)
314.37888

>  <PCAT_CMPD_ID> (1,742)
WAY-335091

>  <CNC_ID> (1,742)
359333618

>  <transfer_container_id> (1,742)
PTN000000067

>  <COMPOUND_NUMBER> (1,742)
WAY-335091

>  <BAR_CODE_NO> (1,742)
310092

>  <LOCATION_CODE> (1,742)
PTNCS

>  <AMOUNT_CURRENT> (1,742)
32.5

$$$$
WAY-335094
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.0125   -2.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -2.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -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  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 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 20 17  2  0  0  0  0
  3  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,743)
1743

>  <Formula> (1,743)
C14H14O5S

>  <MolWeight> (1,743)
294.32296

>  <PCAT_CMPD_ID> (1,743)
WAY-335094

>  <CNC_ID> (1,743)
359333621

>  <transfer_container_id> (1,743)
PTN000000067

>  <COMPOUND_NUMBER> (1,743)
WAY-335094

>  <BAR_CODE_NO> (1,743)
310095

>  <LOCATION_CODE> (1,743)
PTNCS

>  <AMOUNT_CURRENT> (1,743)
32.5

$$$$
WAY-335101
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.4042   -5.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -8.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -1.5750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3167   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2250   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -7.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2250   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  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  3  1  0  0  0  0
 12  8  2  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 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20 22  1  0  0  0  0
 21  5  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
  5  4  1  0  0  0  0
 18 16  2  0  0  0  0
 20  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,744)
1744

>  <Formula> (1,744)
C19H24N2O3

>  <MolWeight> (1,744)
328.40546

>  <PCAT_CMPD_ID> (1,744)
WAY-335101

>  <CNC_ID> (1,744)
359333628

>  <transfer_container_id> (1,744)
PTN000000067

>  <COMPOUND_NUMBER> (1,744)
WAY-335101

>  <BAR_CODE_NO> (1,744)
310102

>  <LOCATION_CODE> (1,744)
PTNCS

>  <AMOUNT_CURRENT> (1,744)
32.5

$$$$
WAY-347990
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   13.3042   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -3.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -8.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -4.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -4.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -6.5125    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  4  1  0  0  0  0
 18  3  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  2  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
  4  9  1  0  0  0  0
 10  5  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,745)
1745

>  <Formula> (1,745)
C17H17N3O2S

>  <MolWeight> (1,745)
327.40078

>  <PCAT_CMPD_ID> (1,745)
WAY-347990

>  <CNC_ID> (1,745)
359333720

>  <transfer_container_id> (1,745)
PTN000000067

>  <COMPOUND_NUMBER> (1,745)
WAY-347990

>  <BAR_CODE_NO> (1,745)
90460384

>  <LOCATION_CODE> (1,745)
PTNCS

>  <AMOUNT_CURRENT> (1,745)
32.6

$$$$
WAY-354833
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.9625   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -3.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6875   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -2.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -4.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -6.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125   -4.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -7.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042  -11.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292  -12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -6.4667    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  6  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 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  4  1  0  0  0  0
 16 10  2  0  0  0  0
 17  8  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20 12  1  0  0  0  0
 21  9  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24  5  2  0  0  0  0
 25  6  2  0  0  0  0
 26 21  1  0  0  0  0
 27 28  2  0  0  0  0
 28 25  1  0  0  0  0
  4  5  1  0  0  0  0
 13 15  1  0  0  0  0
 24 27  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,746)
1746

>  <Formula> (1,746)
C20H18N4O3S

>  <MolWeight> (1,746)
394.44692

>  <PCAT_CMPD_ID> (1,746)
WAY-354833

>  <CNC_ID> (1,746)
359333747

>  <transfer_container_id> (1,746)
PTN000000067

>  <COMPOUND_NUMBER> (1,746)
WAY-354833

>  <BAR_CODE_NO> (1,746)
90480857

>  <LOCATION_CODE> (1,746)
PTNCS

>  <AMOUNT_CURRENT> (1,746)
32.3

$$$$
WAY-354835
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.7750   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -5.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -3.8292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2917   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -2.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.9042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -7.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -10.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5167   -4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375   -5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750  -10.3125    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
    6.0500   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917  -11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -7.0542    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  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  1  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 11 18  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  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  5  2  0  0  0  0
 22  6  2  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
  4  5  1  0  0  0  0
 13 15  1  0  0  0  0
 21 25  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,747)
1747

>  <Formula> (1,747)
C20H20N4OS

>  <MolWeight> (1,747)
364.464

>  <PCAT_CMPD_ID> (1,747)
WAY-354835

>  <CNC_ID> (1,747)
359333749

>  <transfer_container_id> (1,747)
PTN000000067

>  <COMPOUND_NUMBER> (1,747)
WAY-354835

>  <BAR_CODE_NO> (1,747)
90480859

>  <LOCATION_CODE> (1,747)
PTNCS

>  <AMOUNT_CURRENT> (1,747)
32.7

$$$$
WAY-624976
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.2833   -1.0875    0.0000 S   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
   -0.5708   -0.6750    0.0000 N   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
    2.2917    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -2.7375    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
    3.0042    3.0458    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
   -1.6958   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -3.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -2.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  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  1  0  0  0  0
  7  8  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  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 28  1  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16  1  2  0  0  0  0
 17  1  2  0  0  0  0
 18 10  1  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21 18  2  0  0  0  0
 22 27  1  0  0  0  0
 23 12  1  0  0  0  0
 24  6  1  0  0  0  0
 25  8  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 20  1  0  0  0  0
 29 19  1  0  0  0  0
 30 18  1  0  0  0  0
 31 21  1  0  0  0  0
 32 23  1  0  0  0  0
 33 26  1  0  0  0  0
 13 29  1  0  0  0  0
 22 12  2  0  0  0  0
 32 33  1  0  0  0  0
  7  5  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,748)
1748

>  <Formula> (1,748)
C24H26N2O6S

>  <MolWeight> (1,748)
470.53804

>  <PCAT_CMPD_ID> (1,748)
WAY-624976

>  <CNC_ID> (1,748)
359333785

>  <transfer_container_id> (1,748)
PTN000000067

>  <COMPOUND_NUMBER> (1,748)
WAY-624976

>  <BAR_CODE_NO> (1,748)
90459156

>  <LOCATION_CODE> (1,748)
PTNCS

>  <AMOUNT_CURRENT> (1,748)
32.1

$$$$
WAY-624977
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.3625   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    3.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.5708    0.0000 C   0  0  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
   -0.9583   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -4.5000    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  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 17  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 16  2  0  0  0  0
 16  6  1  0  0  0  0
 17 18  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  2  0  0  0  0
 20 10  2  0  0  0  0
 21  2  1  0  0  0  0
 22  8  1  0  0  0  0
 23  5  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
  3  4  1  0  0  0  0
 11  7  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,749)
1749

>  <Formula> (1,749)
C17H17N3O4S

>  <MolWeight> (1,749)
359.39958

>  <PCAT_CMPD_ID> (1,749)
WAY-624977

>  <CNC_ID> (1,749)
359333786

>  <transfer_container_id> (1,749)
PTN000000067

>  <COMPOUND_NUMBER> (1,749)
WAY-624977

>  <BAR_CODE_NO> (1,749)
90459157

>  <LOCATION_CODE> (1,749)
PTNCS

>  <AMOUNT_CURRENT> (1,749)
32.9

$$$$
WAY-624999
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.8292   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -1.6542    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  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  0  0  0  0
 18  4  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 17  1  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 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
  2  6  1  0  0  0  0
 29 28  1  0  0  0  0
 17 19  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,750)
1750

>  <Formula> (1,750)
C22H22N4O3

>  <MolWeight> (1,750)
390.43508

>  <PCAT_CMPD_ID> (1,750)
WAY-624999

>  <CNC_ID> (1,750)
359333808

>  <transfer_container_id> (1,750)
PTN000000067

>  <COMPOUND_NUMBER> (1,750)
WAY-624999

>  <BAR_CODE_NO> (1,750)
90459179

>  <LOCATION_CODE> (1,750)
PTNCS

>  <AMOUNT_CURRENT> (1,750)
32.1

$$$$
WAY-625018
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.3917    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.0167    0.0000 N   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
    2.4542   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.3458    0.0000 S   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
    3.7250    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  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  7  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  8  2  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 14  2  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 19  2  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 25  2  0  0  0  0
  4  5  1  0  0  0  0
 13 12  2  0  0  0  0
 28 24  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,751)
1751

>  <Formula> (1,751)
C20H15N5O2S

>  <MolWeight> (1,751)
389.4304

>  <PCAT_CMPD_ID> (1,751)
WAY-625018

>  <CNC_ID> (1,751)
359333827

>  <transfer_container_id> (1,751)
PTN000000067

>  <COMPOUND_NUMBER> (1,751)
WAY-625018

>  <BAR_CODE_NO> (1,751)
90459199

>  <LOCATION_CODE> (1,751)
PTNCS

>  <AMOUNT_CURRENT> (1,751)
32.1

$$$$
WAY-625029
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2708   -1.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    2.9833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0583   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    3.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.1833    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
    1.2375    4.0542    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
    0.0750   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -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 10  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  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 17  2  0  0  0  0
 11  4  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 14  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  2  1  0  0  0  0
 21  2  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
 16 10  1  0  0  0  0
 25 24  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,752)
1752

>  <Formula> (1,752)
C17H21NO6S

>  <MolWeight> (1,752)
367.41674

>  <PCAT_CMPD_ID> (1,752)
WAY-625029

>  <CNC_ID> (1,752)
359333838

>  <transfer_container_id> (1,752)
PTN000000067

>  <COMPOUND_NUMBER> (1,752)
WAY-625029

>  <BAR_CODE_NO> (1,752)
90459210

>  <LOCATION_CODE> (1,752)
PTNCS

>  <AMOUNT_CURRENT> (1,752)
32.6

$$$$
WAY-625053
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.3125   -0.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8333   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    0.3833    0.0000 O   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
   -3.1208    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -1.5750    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
    4.7375   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    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  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 17  1  0  0  0  0
  7 13  1  0  0  0  0
  8  2  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 15  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15 18  1  0  0  0  0
 16  2  2  0  0  0  0
 17 25  1  0  0  0  0
 18  8  2  0  0  0  0
 19  6  2  0  0  0  0
 20 12  2  0  0  0  0
 21 27  1  0  0  0  0
 22  3  1  0  0  0  0
 23 16  1  0  0  0  0
 24  3  1  0  0  0  0
 25 12  1  0  0  0  0
 26 23  2  0  0  0  0
 27 24  1  0  0  0  0
 28 22  1  0  0  0  0
 29  9  1  0  0  0  0
 30 14  1  0  0  0  0
 31 16  1  0  0  0  0
 32 29  2  0  0  0  0
 33 30  2  0  0  0  0
 21 28  1  0  0  0  0
 18 26  1  0  0  0  0
 14  9  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,753)
1753

>  <Formula> (1,753)
C22H24N2O8S

>  <MolWeight> (1,753)
476.49956

>  <PCAT_CMPD_ID> (1,753)
WAY-625053

>  <CNC_ID> (1,753)
359333862

>  <transfer_container_id> (1,753)
PTN000000067

>  <COMPOUND_NUMBER> (1,753)
WAY-625053

>  <BAR_CODE_NO> (1,753)
90459235

>  <LOCATION_CODE> (1,753)
PTNCS

>  <AMOUNT_CURRENT> (1,753)
33

$$$$
WAY-625069
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.7458    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.3833    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
   -3.0208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    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  1  1  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 12  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  2  0  0  0  0
 11 17  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  2  2  0  0  0  0
 15 11  2  0  0  0  0
 16  1  1  0  0  0  0
 17 20  1  0  0  0  0
 18  5  1  0  0  0  0
 19  4  1  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 22  1  0  0  0  0
 26 18  2  0  0  0  0
 27 19  2  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
 27 26  1  0  0  0  0
  7  9  1  0  0  0  0
 29 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,754)
1754

>  <Formula> (1,754)
C23H20N2O4

>  <MolWeight> (1,754)
388.4159

>  <PCAT_CMPD_ID> (1,754)
WAY-625069

>  <CNC_ID> (1,754)
359333878

>  <transfer_container_id> (1,754)
PTN000000067

>  <COMPOUND_NUMBER> (1,754)
WAY-625069

>  <BAR_CODE_NO> (1,754)
90459251

>  <LOCATION_CODE> (1,754)
PTNCS

>  <AMOUNT_CURRENT> (1,754)
32.1

$$$$
WAY-625077
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.1042    1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    3.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.4000    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
   -0.3208   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    3.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.9625    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
   -0.3208   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -5.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    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  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 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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 11  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  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  3  1  0  0  0  0
 23 17  1  0  0  0  0
 24  6  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
  2  6  1  0  0  0  0
 27 24  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,755)
1755

>  <Formula> (1,755)
C20H18N2O5

>  <MolWeight> (1,755)
366.36732

>  <PCAT_CMPD_ID> (1,755)
WAY-625077

>  <CNC_ID> (1,755)
359333886

>  <transfer_container_id> (1,755)
PTN000000067

>  <COMPOUND_NUMBER> (1,755)
WAY-625077

>  <BAR_CODE_NO> (1,755)
90459259

>  <LOCATION_CODE> (1,755)
PTNCS

>  <AMOUNT_CURRENT> (1,755)
32.4

$$$$
WAY-625108
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.8625    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    0.1083    0.0000 N   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
    1.1500    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    0.5208    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
   -4.5708    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.1083    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
   -5.3500    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    1.3458    0.0000 O   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
   -0.9958   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.5208    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
    3.2917   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    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  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  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 20  1  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 11  1  0  0  0  0
 19  7  2  0  0  0  0
 20 25  2  0  0  0  0
 21 11  2  0  0  0  0
 22  8  2  0  0  0  0
 23 29  2  0  0  0  0
 24 14  1  0  0  0  0
 25 28  1  0  0  0  0
 26  9  2  0  0  0  0
 27  5  1  0  0  0  0
 28 18  1  0  0  0  0
 29 25  1  0  0  0  0
 30 22  1  0  0  0  0
 31 27  1  0  0  0  0
  3  2  2  0  0  0  0
 22 26  1  0  0  0  0
 12 10  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,756)
1756

>  <Formula> (1,756)
C22H21N3O6

>  <MolWeight> (1,756)
423.41864

>  <PCAT_CMPD_ID> (1,756)
WAY-625108

>  <CNC_ID> (1,756)
359333917

>  <transfer_container_id> (1,756)
PTN000000067

>  <COMPOUND_NUMBER> (1,756)
WAY-625108

>  <BAR_CODE_NO> (1,756)
90459290

>  <LOCATION_CODE> (1,756)
PTNCS

>  <AMOUNT_CURRENT> (1,756)
32.3

$$$$
WAY-625114
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.6458    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    1.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9250    2.0833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3042   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    0.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7333    2.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3542    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  2  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  5  1  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 15  1  0  0  0  0
 15  1  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19  2  2  0  0  0  0
 20  3  2  0  0  0  0
 21  8  1  0  0  0  0
 22 21  2  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 27  1  0  0  0  0
 27 25  2  0  0  0  0
  4  5  1  0  0  0  0
 18 10  1  0  0  0  0
 17 16  2  0  0  0  0
 13  8  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,757)
1757

>  <Formula> (1,757)
C19H16N4O3S

>  <MolWeight> (1,757)
380.42034

>  <PCAT_CMPD_ID> (1,757)
WAY-625114

>  <CNC_ID> (1,757)
359333923

>  <transfer_container_id> (1,757)
PTN000000067

>  <COMPOUND_NUMBER> (1,757)
WAY-625114

>  <BAR_CODE_NO> (1,757)
90459296

>  <LOCATION_CODE> (1,757)
PTNCS

>  <AMOUNT_CURRENT> (1,757)
32.7

$$$$
WAY-625118
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.8750    2.6583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -3.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -4.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    3.8958    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  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  5  1  0  0  0  0
  9 17  1  0  0  0  0
 10  9  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  1  1  0  0  0  0
 16 22  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19  2  2  0  0  0  0
 20 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 20  1  0  0  0  0
 23 16  2  0  0  0  0
 24 25  1  0  0  0  0
 25 16  1  0  0  0  0
 26  6  1  0  0  0  0
 27  8  1  0  0  0  0
 28 15  1  0  0  0  0
 29 15  2  0  0  0  0
 30 31  1  0  0  0  0
 31 27  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
  9 18  1  0  0  0  0
 34 33  1  0  0  0  0
  6  2  1  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,758)
1758

>  <Formula> (1,758)
C23H24N4O6S

>  <MolWeight> (1,758)
484.52486

>  <PCAT_CMPD_ID> (1,758)
WAY-625118

>  <CNC_ID> (1,758)
359333927

>  <transfer_container_id> (1,758)
PTN000000067

>  <COMPOUND_NUMBER> (1,758)
WAY-625118

>  <BAR_CODE_NO> (1,758)
90459300

>  <LOCATION_CODE> (1,758)
PTNCS

>  <AMOUNT_CURRENT> (1,758)
32.4

$$$$
WAY-625132
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.3917   -0.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    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  6  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 12  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  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  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  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19  4  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 11  1  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 17  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 24  1  0  0  0  0
 21 12  1  0  0  0  0
 28 25  1  0  0  0  0
 15 11  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,759)
1759

>  <Formula> (1,759)
C21H21N3O3S

>  <MolWeight> (1,759)
395.47474

>  <PCAT_CMPD_ID> (1,759)
WAY-625132

>  <CNC_ID> (1,759)
359333941

>  <transfer_container_id> (1,759)
PTN000000067

>  <COMPOUND_NUMBER> (1,759)
WAY-625132

>  <BAR_CODE_NO> (1,759)
90459314

>  <LOCATION_CODE> (1,759)
PTNCS

>  <AMOUNT_CURRENT> (1,759)
32.5

$$$$
WAY-625137
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.0792   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -0.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0375    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    1.8125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    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  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  2  1  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 19  1  0  0  0  0
 13  9  1  0  0  0  0
 14 21  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 11  2  0  0  0  0
 19 22  2  0  0  0  0
 20  9  2  0  0  0  0
 21 25  2  0  0  0  0
 22 23  1  0  0  0  0
 23 13  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26  8  1  0  0  0  0
 27 11  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
  5  8  2  0  0  0  0
  7  6  2  0  0  0  0
 30 28  2  0  0  0  0
 14 12  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,760)
1760

>  <Formula> (1,760)
C22H18ClN3O3S

>  <MolWeight> (1,760)
439.91462

>  <PCAT_CMPD_ID> (1,760)
WAY-625137

>  <CNC_ID> (1,760)
359333946

>  <transfer_container_id> (1,760)
PTN000000067

>  <COMPOUND_NUMBER> (1,760)
WAY-625137

>  <BAR_CODE_NO> (1,760)
90459319

>  <LOCATION_CODE> (1,760)
PTNCS

>  <AMOUNT_CURRENT> (1,760)
32.3

$$$$
WAY-625187
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.5083    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.3083    0.0000 C   0  0  0  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
   -0.7333   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -0.5292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -3.5250    0.0000 C   0  0  0  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  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10 11  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  8  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  5  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 17  2  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  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 28  2  0  0  0  0
  5  6  2  0  0  0  0
 24 25  1  0  0  0  0
 27 21  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,761)
1761

>  <Formula> (1,761)
C23H17F2NO4

>  <MolWeight> (1,761)
409.3821864

>  <PCAT_CMPD_ID> (1,761)
WAY-625187

>  <CNC_ID> (1,761)
359333996

>  <transfer_container_id> (1,761)
PTN000000067

>  <COMPOUND_NUMBER> (1,761)
WAY-625187

>  <BAR_CODE_NO> (1,761)
90459372

>  <LOCATION_CODE> (1,761)
PTNCS

>  <AMOUNT_CURRENT> (1,761)
32.2

$$$$
WAY-625206
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.5375    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -0.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6875   -2.4000    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
   -4.2333   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -0.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -0.0750    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  1  1  0  0  0  0
  5  1  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 10  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13 19  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  2  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20 15  2  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 10  1  0  0  0  0
 25 14  1  0  0  0  0
 26 11  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
 29 23  1  0  0  0  0
  8 12  2  0  0  0  0
 22 20  1  0  0  0  0
 28 21  2  0  0  0  0
  9  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,762)
1762

>  <Formula> (1,762)
C21H19N3O4S

>  <MolWeight> (1,762)
409.45826

>  <PCAT_CMPD_ID> (1,762)
WAY-625206

>  <CNC_ID> (1,762)
359334015

>  <transfer_container_id> (1,762)
PTN000000067

>  <COMPOUND_NUMBER> (1,762)
WAY-625206

>  <BAR_CODE_NO> (1,762)
90459391

>  <LOCATION_CODE> (1,762)
PTNCS

>  <AMOUNT_CURRENT> (1,762)
32.2

$$$$
WAY-625292
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9417   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.2208    0.0000 C   0  0  3  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
    1.6542   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.9042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.4917    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 12  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 13  1  0  0  0  0
 10  1  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 11  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 11  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 20  1  0  0  0  0
 22 18  2  0  0  0  0
  7  5  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,763)
1763

>  <Formula> (1,763)
C16H15FN2O3

>  <MolWeight> (1,763)
302.3003032

>  <PCAT_CMPD_ID> (1,763)
WAY-625292

>  <CNC_ID> (1,763)
359334101

>  <transfer_container_id> (1,763)
PTN000000067

>  <COMPOUND_NUMBER> (1,763)
WAY-625292

>  <BAR_CODE_NO> (1,763)
90459479

>  <LOCATION_CODE> (1,763)
PTNCS

>  <AMOUNT_CURRENT> (1,763)
32.3

$$$$
WAY-625341
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.3667   -2.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1917   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    2.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    3.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -3.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -2.7917    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  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  2  0  0  0  0
  9 22  1  0  0  0  0
 10  1  1  0  0  0  0
 11 21  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  4  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  3  2  0  0  0  0
 18 13  1  0  0  0  0
 19  4  2  0  0  0  0
 20  9  2  0  0  0  0
 21 23  2  0  0  0  0
 22 14  1  0  0  0  0
 23 16  1  0  0  0  0
 24 10  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  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
  6  2  1  0  0  0  0
 29 28  2  0  0  0  0
 11  7  2  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,764)
1764

>  <Formula> (1,764)
C21H20N2O6

>  <MolWeight> (1,764)
396.3933

>  <PCAT_CMPD_ID> (1,764)
WAY-625341

>  <CNC_ID> (1,764)
359334150

>  <transfer_container_id> (1,764)
PTN000000067

>  <COMPOUND_NUMBER> (1,764)
WAY-625341

>  <BAR_CODE_NO> (1,764)
90459528

>  <LOCATION_CODE> (1,764)
PTNCS

>  <AMOUNT_CURRENT> (1,764)
32.2

$$$$
WAY-625429
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.4625   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.1417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.3333    0.0000 C   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
    0.6792    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -0.3167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8958   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -3.6167    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 10  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10 15  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  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  2  0  0  0  0
 17  3  2  0  0  0  0
 18  7  1  0  0  0  0
 19 18  2  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 17  1  0  0  0  0
 19 17  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,765)
1765

>  <Formula> (1,765)
C17H18N2O4

>  <MolWeight> (1,765)
314.33582

>  <PCAT_CMPD_ID> (1,765)
WAY-625429

>  <CNC_ID> (1,765)
359334238

>  <transfer_container_id> (1,765)
PTN000000067

>  <COMPOUND_NUMBER> (1,765)
WAY-625429

>  <BAR_CODE_NO> (1,765)
90459618

>  <LOCATION_CODE> (1,765)
PTNCS

>  <AMOUNT_CURRENT> (1,765)
32

$$$$
WAY-625565
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0708    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    3.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -4.9417    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  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 18  1  0  0  0  0
 10  6  1  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 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  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
  5  4  2  0  0  0  0
 14 15  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,766)
1766

>  <Formula> (1,766)
C16H13N3O4S

>  <MolWeight> (1,766)
343.35712

>  <PCAT_CMPD_ID> (1,766)
WAY-625565

>  <CNC_ID> (1,766)
359334374

>  <transfer_container_id> (1,766)
PTN000000067

>  <COMPOUND_NUMBER> (1,766)
WAY-625565

>  <BAR_CODE_NO> (1,766)
90459755

>  <LOCATION_CODE> (1,766)
PTNCS

>  <AMOUNT_CURRENT> (1,766)
32.6

$$$$
WAY-625566
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.4875   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    3.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.9042    0.0000 C   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
   -1.6583   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.6667    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  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 14  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 17  1  0  0  0  0
 20 13  2  0  0  0  0
 21 10  1  0  0  0  0
 22 16  1  0  0  0  0
 23 11  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  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
  3  2  2  0  0  0  0
  7  9  1  0  0  0  0
 30 29  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,767)
1767

>  <Formula> (1,767)
C22H21N3O3S2

>  <MolWeight> (1,767)
439.55044

>  <PCAT_CMPD_ID> (1,767)
WAY-625566

>  <CNC_ID> (1,767)
359334375

>  <transfer_container_id> (1,767)
PTN000000067

>  <COMPOUND_NUMBER> (1,767)
WAY-625566

>  <BAR_CODE_NO> (1,767)
90459756

>  <LOCATION_CODE> (1,767)
PTNCS

>  <AMOUNT_CURRENT> (1,767)
32.5

$$$$
WAY-625588
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    0.6000   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.1250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1125   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    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  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  5  2  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  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15  1  1  0  0  0  0
 16 15  3  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  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 19  2  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
 27 22  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
  8 10  1  0  0  0  0
  9  3  2  0  0  0  0
 14 11  1  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,768)
1768

>  <Formula> (1,768)
C22H22N6O

>  <MolWeight> (1,768)
386.44968

>  <PCAT_CMPD_ID> (1,768)
WAY-625588

>  <CNC_ID> (1,768)
359334397

>  <transfer_container_id> (1,768)
PTN000000067

>  <COMPOUND_NUMBER> (1,768)
WAY-625588

>  <BAR_CODE_NO> (1,768)
90459779

>  <LOCATION_CODE> (1,768)
PTNCS

>  <AMOUNT_CURRENT> (1,768)
32.6

$$$$
WAY-625621
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.2958   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    3.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -2.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -3.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.1667    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
    1.5292    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6 13  1  0  0  0  0
  7 11  2  0  0  0  0
  8  1  1  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  3  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17  2  1  0  0  0  0
 18 12  1  0  0  0  0
 19  5  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,769)
1769

>  <Formula> (1,769)
C16H20N2O5

>  <MolWeight> (1,769)
320.3404

>  <PCAT_CMPD_ID> (1,769)
WAY-625621

>  <CNC_ID> (1,769)
359334430

>  <transfer_container_id> (1,769)
PTN000000067

>  <COMPOUND_NUMBER> (1,769)
WAY-625621

>  <BAR_CODE_NO> (1,769)
90459814

>  <LOCATION_CODE> (1,769)
PTNCS

>  <AMOUNT_CURRENT> (1,769)
32.6

$$$$
WAY-625656
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.4917   -1.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -2.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    4.9417    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  8  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 10  2  0  0  0  0
  9  2  2  0  0  0  0
 10 20  1  0  0  0  0
 11  2  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  2  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  5  1  0  0  0  0
 19 13  2  0  0  0  0
 20 17  1  0  0  0  0
 21 26  1  0  0  0  0
 22  6  1  0  0  0  0
 23  6  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 22  1  0  0  0  0
 28 18  2  0  0  0  0
 29 18  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
 21 27  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  2  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,770)
1770

>  <Formula> (1,770)
C20H17Cl2N3O6S

>  <MolWeight> (1,770)
498.33648

>  <PCAT_CMPD_ID> (1,770)
WAY-625656

>  <CNC_ID> (1,770)
359334465

>  <transfer_container_id> (1,770)
PTN000000067

>  <COMPOUND_NUMBER> (1,770)
WAY-625656

>  <BAR_CODE_NO> (1,770)
90459849

>  <LOCATION_CODE> (1,770)
PTNCS

>  <AMOUNT_CURRENT> (1,770)
32.2

$$$$
WAY-625706
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.3625   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    2.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -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  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  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
 13  9  1  0  0  0  0
  5  6  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,771)
1771

>  <Formula> (1,771)
C8H12N4S

>  <MolWeight> (1,771)
196.27268

>  <PCAT_CMPD_ID> (1,771)
WAY-625706

>  <CNC_ID> (1,771)
359334515

>  <transfer_container_id> (1,771)
PTN000000067

>  <COMPOUND_NUMBER> (1,771)
WAY-625706

>  <BAR_CODE_NO> (1,771)
90459899

>  <LOCATION_CODE> (1,771)
PTNCS

>  <AMOUNT_CURRENT> (1,771)
32.6

$$$$
WAY-625708
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.2292    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -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  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  5  2  0  0  0  0
  9  8  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 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
  6  2  2  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,772)
1772

>  <Formula> (1,772)
C10H10N4O2

>  <MolWeight> (1,772)
218.212

>  <PCAT_CMPD_ID> (1,772)
WAY-625708

>  <CNC_ID> (1,772)
359334517

>  <transfer_container_id> (1,772)
PTN000000067

>  <COMPOUND_NUMBER> (1,772)
WAY-625708

>  <BAR_CODE_NO> (1,772)
90459901

>  <LOCATION_CODE> (1,772)
PTNCS

>  <AMOUNT_CURRENT> (1,772)
32.3

$$$$
WAY-625709
csChFnd80/11182011152D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.2667   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -0.8500    0.0000 C   0  0  0  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  5  1  0  0  0  0
  9  5  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  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  2  0  0  0  0
  7  6  2  0  0  0  0
 15 14  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,773)
1773

>  <Formula> (1,773)
C11H12N4

>  <MolWeight> (1,773)
200.23978

>  <PCAT_CMPD_ID> (1,773)
WAY-625709

>  <CNC_ID> (1,773)
359334518

>  <transfer_container_id> (1,773)
PTN000000067

>  <COMPOUND_NUMBER> (1,773)
WAY-625709

>  <BAR_CODE_NO> (1,773)
90459902

>  <LOCATION_CODE> (1,773)
PTNCS

>  <AMOUNT_CURRENT> (1,773)
32.4

$$$$
WAY-625712
csChFnd80/11182011152D

 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 S   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> (1,774)
1774

>  <Formula> (1,774)
C6H8N4S

>  <MolWeight> (1,774)
168.21952

>  <PCAT_CMPD_ID> (1,774)
WAY-625712

>  <CNC_ID> (1,774)
359334521

>  <transfer_container_id> (1,774)
PTN000000067

>  <COMPOUND_NUMBER> (1,774)
WAY-625712

>  <BAR_CODE_NO> (1,774)
90459905

>  <LOCATION_CODE> (1,774)
PTNCS

>  <AMOUNT_CURRENT> (1,774)
32.1

$$$$
WAY-625727
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.3000    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.4625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0083   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    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  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  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  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 14  2  0  0  0  0
 21 14  1  0  0  0  0
 22 17  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 24  1  0  0  0  0
 27 23  2  0  0  0  0
  5  4  2  0  0  0  0
 19 11  2  0  0  0  0
 27 22  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,775)
1775

>  <Formula> (1,775)
C22H18N2O3

>  <MolWeight> (1,775)
358.38992

>  <PCAT_CMPD_ID> (1,775)
WAY-625727

>  <CNC_ID> (1,775)
359334536

>  <transfer_container_id> (1,775)
PTN000000067

>  <COMPOUND_NUMBER> (1,775)
WAY-625727

>  <BAR_CODE_NO> (1,775)
90459920

>  <LOCATION_CODE> (1,775)
PTNCS

>  <AMOUNT_CURRENT> (1,775)
33

$$$$
WAY-625734
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -2.3625    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.1333    0.0000 N   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
   -0.9333    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.1042    0.0000 C   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
    0.4417   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1125    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875    0.6083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -2.8417    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  3  2  0  0  0  0
  5  9  1  0  0  0  0
  6 12  1  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  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 15  2  0  0  0  0
 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16 21  1  0  0  0  0
 17 29  1  0  0  0  0
 18 14  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21 13  1  0  0  0  0
 22 18  1  0  0  0  0
 23 28  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 20  1  0  0  0  0
 30 19  1  0  0  0  0
 31 16  1  0  0  0  0
 32 21  1  0  0  0  0
 33 32  1  0  0  0  0
 17 30  1  0  0  0  0
  6  5  2  0  0  0  0
  2  4  1  0  0  0  0
 31 33  1  0  0  0  0
 27 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,776)
1776

>  <Formula> (1,776)
C23H26ClN3O5S

>  <MolWeight> (1,776)
491.98764

>  <PCAT_CMPD_ID> (1,776)
WAY-625734

>  <CNC_ID> (1,776)
359334543

>  <transfer_container_id> (1,776)
PTN000000067

>  <COMPOUND_NUMBER> (1,776)
WAY-625734

>  <BAR_CODE_NO> (1,776)
90459927

>  <LOCATION_CODE> (1,776)
PTNCS

>  <AMOUNT_CURRENT> (1,776)
32.4

$$$$
WAY-625830
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.7667    1.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -3.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -3.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -2.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    4.0917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -5.1125    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  2  0  0  0  0
  5 17  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  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  6  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  7  1  0  0  0  0
 19  7  2  0  0  0  0
 20  8  2  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
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 26  9  1  0  0  0  0
 22 24  2  0  0  0  0
  5 16  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,777)
1777

>  <Formula> (1,777)
C16H18ClN3O3S3

>  <MolWeight> (1,777)
431.98042

>  <PCAT_CMPD_ID> (1,777)
WAY-625830

>  <CNC_ID> (1,777)
359334639

>  <transfer_container_id> (1,777)
PTN000000067

>  <COMPOUND_NUMBER> (1,777)
WAY-625830

>  <BAR_CODE_NO> (1,777)
90460024

>  <LOCATION_CODE> (1,777)
PTNCS

>  <AMOUNT_CURRENT> (1,777)
32.5

$$$$
WAY-625839
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2917    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8458   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    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  3  1  0  0  0  0
  5  4  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  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  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
 14 13  1  0  0  0  0
 11  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,778)
1778

>  <Formula> (1,778)
C12H12N2O3S

>  <MolWeight> (1,778)
264.30028

>  <PCAT_CMPD_ID> (1,778)
WAY-625839

>  <CNC_ID> (1,778)
359334648

>  <transfer_container_id> (1,778)
PTN000000067

>  <COMPOUND_NUMBER> (1,778)
WAY-625839

>  <BAR_CODE_NO> (1,778)
90460033

>  <LOCATION_CODE> (1,778)
PTNCS

>  <AMOUNT_CURRENT> (1,778)
33

$$$$
WAY-625855
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.7333    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -2.8292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7125   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    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  2  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  3  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  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15  3  1  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 17  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
  8  4  1  0  0  0  0
 22 18  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,779)
1779

>  <Formula> (1,779)
C16H19N3O3

>  <MolWeight> (1,779)
301.34036

>  <PCAT_CMPD_ID> (1,779)
WAY-625855

>  <CNC_ID> (1,779)
359334664

>  <transfer_container_id> (1,779)
PTN000000067

>  <COMPOUND_NUMBER> (1,779)
WAY-625855

>  <BAR_CODE_NO> (1,779)
90460049

>  <LOCATION_CODE> (1,779)
PTNCS

>  <AMOUNT_CURRENT> (1,779)
32.6

$$$$
WAY-625863
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6708    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -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  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
 25 23  1  0  0  0  0
  9  4  1  0  0  0  0
 22 18  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,780)
1780

>  <Formula> (1,780)
C17H20N4O4

>  <MolWeight> (1,780)
344.3651

>  <PCAT_CMPD_ID> (1,780)
WAY-625863

>  <CNC_ID> (1,780)
359334672

>  <transfer_container_id> (1,780)
PTN000000067

>  <COMPOUND_NUMBER> (1,780)
WAY-625863

>  <BAR_CODE_NO> (1,780)
90460057

>  <LOCATION_CODE> (1,780)
PTNCS

>  <AMOUNT_CURRENT> (1,780)
32

$$$$
WAY-626014
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6833    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    3.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -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 15  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  2  1  0  0  0  0
 11  9  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 17  1  0  0  0  0
 16  5  1  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 21  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  2  0  0  0  0
 23 14  1  0  0  0  0
 24  6  1  0  0  0  0
 25 11  1  0  0  0  0
  4  8  1  0  0  0  0
 13 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,781)
1781

>  <Formula> (1,781)
C17H16Cl2N4OS

>  <MolWeight> (1,781)
395.30614

>  <PCAT_CMPD_ID> (1,781)
WAY-626014

>  <CNC_ID> (1,781)
359334823

>  <transfer_container_id> (1,781)
PTN000000067

>  <COMPOUND_NUMBER> (1,781)
WAY-626014

>  <BAR_CODE_NO> (1,781)
90460208

>  <LOCATION_CODE> (1,781)
PTNCS

>  <AMOUNT_CURRENT> (1,781)
32.9

$$$$
WAY-626030
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -0.1583    0.4375    0.0000 N   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
   -0.0708    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.1000    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
    3.5875   -2.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.9125    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 22  1  0  0  0  0
 12  1  1  0  0  0  0
 13  5  1  0  0  0  0
 14 20  1  0  0  0  0
 15 24  1  0  0  0  0
 16 14  1  0  0  0  0
 17  3  1  0  0  0  0
 18 15  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 13  1  0  0  0  0
 23 11  2  0  0  0  0
 24 27  2  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 10  1  0  0  0  0
 29 17  2  0  0  0  0
 30 17  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
  4  8  1  0  0  0  0
 15 14  2  0  0  0  0
 33 32  2  0  0  0  0
 19 18  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,782)
1782

>  <Formula> (1,782)
C25H24N4O3S

>  <MolWeight> (1,782)
460.54806

>  <PCAT_CMPD_ID> (1,782)
WAY-626030

>  <CNC_ID> (1,782)
359334839

>  <transfer_container_id> (1,782)
PTN000000067

>  <COMPOUND_NUMBER> (1,782)
WAY-626030

>  <BAR_CODE_NO> (1,782)
90460224

>  <LOCATION_CODE> (1,782)
PTNCS

>  <AMOUNT_CURRENT> (1,782)
33

$$$$
WAY-626043
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.0375   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2208    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
    1.3917   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.6958    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
    2.1042   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -3.3167    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  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  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 12  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 16  5  2  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
 14 16  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,783)
1783

>  <Formula> (1,783)
C14H14N4O2S

>  <MolWeight> (1,783)
302.35156

>  <PCAT_CMPD_ID> (1,783)
WAY-626043

>  <CNC_ID> (1,783)
359334852

>  <transfer_container_id> (1,783)
PTN000000067

>  <COMPOUND_NUMBER> (1,783)
WAY-626043

>  <BAR_CODE_NO> (1,783)
90460237

>  <LOCATION_CODE> (1,783)
PTNCS

>  <AMOUNT_CURRENT> (1,783)
32.8

$$$$
WAY-626056
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.3292    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -1.8125    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
   -1.2458    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -1.8125    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  3  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  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  2  2  0  0  0  0
 12  4  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 10  1  0  0  0  0
 17  5  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 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23 17  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 22  2  0  0  0  0
 28 21  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  2  0  0  0  0
  6 15  1  0  0  0  0
 26 18  2  0  0  0  0
 29 28  2  0  0  0  0
 30 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,784)
1784

>  <Formula> (1,784)
C25H27N3O2

>  <MolWeight> (1,784)
401.50078

>  <PCAT_CMPD_ID> (1,784)
WAY-626056

>  <CNC_ID> (1,784)
359334865

>  <transfer_container_id> (1,784)
PTN000000067

>  <COMPOUND_NUMBER> (1,784)
WAY-626056

>  <BAR_CODE_NO> (1,784)
90460250

>  <LOCATION_CODE> (1,784)
PTNCS

>  <AMOUNT_CURRENT> (1,784)
32.5

$$$$
WAY-626059
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.9583    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -1.7250    0.0000 N   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
    3.8500   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917    0.4583    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  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 16  1  0  0  0  0
 11  8  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 21  1  0  0  0  0
 17  8  1  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 23  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  2  0  0  0  0
 25 19  2  0  0  0  0
 26 18  2  0  0  0  0
 27 24  1  0  0  0  0
  6  7  2  0  0  0  0
 26 25  1  0  0  0  0
 11  9  1  0  0  0  0
 27 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,785)
1785

>  <Formula> (1,785)
C20H17N3O4

>  <MolWeight> (1,785)
363.36668

>  <PCAT_CMPD_ID> (1,785)
WAY-626059

>  <CNC_ID> (1,785)
359334868

>  <transfer_container_id> (1,785)
PTN000000067

>  <COMPOUND_NUMBER> (1,785)
WAY-626059

>  <BAR_CODE_NO> (1,785)
90460253

>  <LOCATION_CODE> (1,785)
PTNCS

>  <AMOUNT_CURRENT> (1,785)
33

$$$$
WAY-626097
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.6542    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.5208    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
    0.6542    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    2.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.7000    0.0000 C   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
   -2.2875   -3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.6167    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  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  8  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  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 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  2  0  0  0  0
 20  9  1  0  0  0  0
 21  9  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  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
 27 24  1  0  0  0  0
  5  3  1  0  0  0  0
 10  7  2  0  0  0  0
 25 24  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,786)
1786

>  <Formula> (1,786)
C19H14ClN3O3S

>  <MolWeight> (1,786)
399.85076

>  <PCAT_CMPD_ID> (1,786)
WAY-626097

>  <CNC_ID> (1,786)
359334906

>  <transfer_container_id> (1,786)
PTN000000067

>  <COMPOUND_NUMBER> (1,786)
WAY-626097

>  <BAR_CODE_NO> (1,786)
90460291

>  <LOCATION_CODE> (1,786)
PTNCS

>  <AMOUNT_CURRENT> (1,786)
32

$$$$
WAY-626110
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.8917    1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    2.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -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  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  1  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  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
  3  4  1  0  0  0  0
 10 13  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,787)
1787

>  <Formula> (1,787)
C11H12N6

>  <MolWeight> (1,787)
228.25318

>  <PCAT_CMPD_ID> (1,787)
WAY-626110

>  <CNC_ID> (1,787)
359334919

>  <transfer_container_id> (1,787)
PTN000000067

>  <COMPOUND_NUMBER> (1,787)
WAY-626110

>  <BAR_CODE_NO> (1,787)
90460304

>  <LOCATION_CODE> (1,787)
PTNCS

>  <AMOUNT_CURRENT> (1,787)
32.5

$$$$
WAY-626120
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.5083   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    2.3000    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
    1.3042    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  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 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
  5  6  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,788)
1788

>  <Formula> (1,788)
C9H14N4O

>  <MolWeight> (1,788)
194.23366

>  <PCAT_CMPD_ID> (1,788)
WAY-626120

>  <CNC_ID> (1,788)
359334929

>  <transfer_container_id> (1,788)
PTN000000067

>  <COMPOUND_NUMBER> (1,788)
WAY-626120

>  <BAR_CODE_NO> (1,788)
90460314

>  <LOCATION_CODE> (1,788)
PTNCS

>  <AMOUNT_CURRENT> (1,788)
32.5

$$$$
WAY-626171
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.9167   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.2875    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
   -2.3708   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    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  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 13  1  0  0  0  0
  8  1  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  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  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 10  1  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
  3  5  1  0  0  0  0
 11  9  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,789)
1789

>  <Formula> (1,789)
C19H20N2OS

>  <MolWeight> (1,789)
324.4399

>  <PCAT_CMPD_ID> (1,789)
WAY-626171

>  <CNC_ID> (1,789)
359334980

>  <transfer_container_id> (1,789)
PTN000000067

>  <COMPOUND_NUMBER> (1,789)
WAY-626171

>  <BAR_CODE_NO> (1,789)
90460365

>  <LOCATION_CODE> (1,789)
PTNCS

>  <AMOUNT_CURRENT> (1,789)
32.8

$$$$
WAY-626189
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.6292    4.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    5.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    5.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.4458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2292    0.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 16  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  1  0  0  0  0
 12 14  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 24  1  0  0  0  0
 17  1  1  0  0  0  0
 18 12  2  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 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 12  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 20  2  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
 32 30  1  0  0  0  0
 19 15  1  0  0  0  0
  2  4  2  0  0  0  0
 30 26  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,790)
1790

>  <Formula> (1,790)
C23H24N4O3S2

>  <MolWeight> (1,790)
468.59166

>  <PCAT_CMPD_ID> (1,790)
WAY-626189

>  <CNC_ID> (1,790)
359334998

>  <transfer_container_id> (1,790)
PTN000000067

>  <COMPOUND_NUMBER> (1,790)
WAY-626189

>  <BAR_CODE_NO> (1,790)
90460383

>  <LOCATION_CODE> (1,790)
PTNCS

>  <AMOUNT_CURRENT> (1,790)
32.7

$$$$
WAY-626262
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.1500   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -3.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    3.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  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  6  2  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  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13 15  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17  5  1  0  0  0  0
 18  4  1  0  0  0  0
 19  7  1  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 22  1  0  0  0  0
  5  7  1  0  0  0  0
 12  9  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,791)
1791

>  <Formula> (1,791)
C17H17N3O3

>  <MolWeight> (1,791)
311.33518

>  <PCAT_CMPD_ID> (1,791)
WAY-626262

>  <CNC_ID> (1,791)
359335071

>  <transfer_container_id> (1,791)
PTN000000067

>  <COMPOUND_NUMBER> (1,791)
WAY-626262

>  <BAR_CODE_NO> (1,791)
90460457

>  <LOCATION_CODE> (1,791)
PTNCS

>  <AMOUNT_CURRENT> (1,791)
32.9

$$$$
WAY-626271
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.7083    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0000   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.4625    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
   -2.9208    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -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  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 10  1  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  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  4  1  0  0  0  0
 15  3  1  0  0  0  0
 16  8  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 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
  8  5  1  0  0  0  0
 21 16  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,792)
1792

>  <Formula> (1,792)
C16H19N3O3

>  <MolWeight> (1,792)
301.34036

>  <PCAT_CMPD_ID> (1,792)
WAY-626271

>  <CNC_ID> (1,792)
359335080

>  <transfer_container_id> (1,792)
PTN000000067

>  <COMPOUND_NUMBER> (1,792)
WAY-626271

>  <BAR_CODE_NO> (1,792)
90460466

>  <LOCATION_CODE> (1,792)
PTNCS

>  <AMOUNT_CURRENT> (1,792)
32.3

$$$$
WAY-626329
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6333    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.6292    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
   -4.3333    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -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  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  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  1  1  0  0  0  0
 14 19  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  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 12  1  0  0  0  0
 21 12  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 24  1  0  0  0  0
  4  5  2  0  0  0  0
 23 22  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,793)
1793

>  <Formula> (1,793)
C19H18N2O3S

>  <MolWeight> (1,793)
354.42282

>  <PCAT_CMPD_ID> (1,793)
WAY-626329

>  <CNC_ID> (1,793)
359335137

>  <transfer_container_id> (1,793)
PTN000000067

>  <COMPOUND_NUMBER> (1,793)
WAY-626329

>  <BAR_CODE_NO> (1,793)
90460525

>  <LOCATION_CODE> (1,793)
PTNCS

>  <AMOUNT_CURRENT> (1,793)
32.3

$$$$
WAY-626346
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0542   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8375   -1.5792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8375   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.5792    0.0000 C   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
    1.3250   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    1.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.3667    0.0000 O   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
    0.0542    2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.5417    0.0000 O   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
    0.5417   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    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  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  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12 19  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  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  8  2  0  0  0  0
 19 16  2  0  0  0  0
 20  8  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 13  9  1  0  0  0  0
  4  7  1  0  0  0  0
 12 10  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,794)
1794

>  <Formula> (1,794)
C15H15NO5S

>  <MolWeight> (1,794)
321.3483

>  <PCAT_CMPD_ID> (1,794)
WAY-626346

>  <CNC_ID> (1,794)
359335154

>  <transfer_container_id> (1,794)
PTN000000067

>  <COMPOUND_NUMBER> (1,794)
WAY-626346

>  <BAR_CODE_NO> (1,794)
90460543

>  <LOCATION_CODE> (1,794)
PTNCS

>  <AMOUNT_CURRENT> (1,794)
32.9

$$$$
WAY-626358
csChFnd80/11182011152D

 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
   -0.1833   -3.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.8667    0.0000 S   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
    1.0917   -3.6917    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 11  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
 12 11  2  0  0  0  0
 25 22  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,795)
1795

>  <Formula> (1,795)
C19H15N5OS

>  <MolWeight> (1,795)
361.4203

>  <PCAT_CMPD_ID> (1,795)
WAY-626358

>  <CNC_ID> (1,795)
359335166

>  <transfer_container_id> (1,795)
PTN000000067

>  <COMPOUND_NUMBER> (1,795)
WAY-626358

>  <BAR_CODE_NO> (1,795)
90460555

>  <LOCATION_CODE> (1,795)
PTNCS

>  <AMOUNT_CURRENT> (1,795)
33

$$$$
WAY-626413
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.0958   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.4292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.6042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.8417    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
    1.0542    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    4.3375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    2.2833    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
    1.0542    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    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  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  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9 15  1  0  0  0  0
 10 18  1  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 16  1  0  0  0  0
 15 17  2  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  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 11  7  1  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,796)
1796

>  <Formula> (1,796)
C14H13BrN2O4

>  <MolWeight> (1,796)
353.16802

>  <PCAT_CMPD_ID> (1,796)
WAY-626413

>  <CNC_ID> (1,796)
359335220

>  <transfer_container_id> (1,796)
PTN000000067

>  <COMPOUND_NUMBER> (1,796)
WAY-626413

>  <BAR_CODE_NO> (1,796)
90460611

>  <LOCATION_CODE> (1,796)
PTNCS

>  <AMOUNT_CURRENT> (1,796)
32.5

$$$$
WAY-626487
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.9875    0.0000 S   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
    2.6292   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -1.7167    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  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  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
 12  1  1  0  0  0  0
 13 20  1  0  0  0  0
 14 10  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  8  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 21  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  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
  4  5  1  0  0  0  0
 27 26  1  0  0  0  0
 13 10  2  0  0  0  0
 22 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,797)
1797

>  <Formula> (1,797)
C19H15N3O4S

>  <MolWeight> (1,797)
381.4051

>  <PCAT_CMPD_ID> (1,797)
WAY-626487

>  <CNC_ID> (1,797)
359335294

>  <transfer_container_id> (1,797)
PTN000000067

>  <COMPOUND_NUMBER> (1,797)
WAY-626487

>  <BAR_CODE_NO> (1,797)
90460692

>  <LOCATION_CODE> (1,797)
PTNCS

>  <AMOUNT_CURRENT> (1,797)
32.4

$$$$
WAY-626489
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.1792   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.8792    0.0000 C   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
    4.5292   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208    0.2833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -0.4375    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  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  1  1  0  0  0  0
 12  9  2  0  0  0  0
 13  2  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  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  3  1  0  0  0  0
 21 26  2  0  0  0  0
 22 19  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 22  1  0  0  0  0
 28 22  2  0  0  0  0
  2  5  1  0  0  0  0
 12 10  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,798)
1798

>  <Formula> (1,798)
C20H22FN5OS

>  <MolWeight> (1,798)
399.4849832

>  <PCAT_CMPD_ID> (1,798)
WAY-626489

>  <CNC_ID> (1,798)
359335296

>  <transfer_container_id> (1,798)
PTN000000067

>  <COMPOUND_NUMBER> (1,798)
WAY-626489

>  <BAR_CODE_NO> (1,798)
90460694

>  <LOCATION_CODE> (1,798)
PTNCS

>  <AMOUNT_CURRENT> (1,798)
32.8

$$$$
WAY-626515
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.7000    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    1.6833    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
   -2.2500   -1.7250    0.0000 N   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
    0.2917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -1.4667    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
    3.1167    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -1.4667    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  2  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  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  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 10  2  0  0  0  0
 21  3  1  0  0  0  0
 22  6  1  0  0  0  0
 23  9  1  0  0  0  0
 24 11  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  2  0  0  0  0
  2  4  1  0  0  0  0
 18 19  2  0  0  0  0
 11  9  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,799)
1799

>  <Formula> (1,799)
C20H19N3O2S

>  <MolWeight> (1,799)
365.44876

>  <PCAT_CMPD_ID> (1,799)
WAY-626515

>  <CNC_ID> (1,799)
359335322

>  <transfer_container_id> (1,799)
PTN000000067

>  <COMPOUND_NUMBER> (1,799)
WAY-626515

>  <BAR_CODE_NO> (1,799)
90460720

>  <LOCATION_CODE> (1,799)
PTNCS

>  <AMOUNT_CURRENT> (1,799)
32.5

$$$$
WAY-626557
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5625    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.9125    0.0000 C   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
   -0.0333   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -2.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    2.7833    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
   -0.9375    2.1500    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
   -1.6500    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  2  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  1  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15  2  1  0  0  0  0
 16  3  1  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 19  1  0  0  0  0
  5  3  1  0  0  0  0
 20 18  2  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,800)
1800

>  <Formula> (1,800)
C14H14N4OS

>  <MolWeight> (1,800)
286.35216

>  <PCAT_CMPD_ID> (1,800)
WAY-626557

>  <CNC_ID> (1,800)
359335364

>  <transfer_container_id> (1,800)
PTN000000067

>  <COMPOUND_NUMBER> (1,800)
WAY-626557

>  <BAR_CODE_NO> (1,800)
90460763

>  <LOCATION_CODE> (1,800)
PTNCS

>  <AMOUNT_CURRENT> (1,800)
32.6

$$$$
WAY-626609
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1458    0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.9583    0.0000 N   0  0  0  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
    0.6375    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.3958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8708    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -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  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 13  1  0  0  0  0
  7 11  2  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  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  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 12  1  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 25  1  0  0  0  0
 23 16  1  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 26  1  0  0  0  0
  3  5  1  0  0  0  0
 27 24  1  0  0  0  0
 22 15  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,801)
1801

>  <Formula> (1,801)
C20H25N5OS

>  <MolWeight> (1,801)
383.5104

>  <PCAT_CMPD_ID> (1,801)
WAY-626609

>  <CNC_ID> (1,801)
359335416

>  <transfer_container_id> (1,801)
PTN000000067

>  <COMPOUND_NUMBER> (1,801)
WAY-626609

>  <BAR_CODE_NO> (1,801)
90460816

>  <LOCATION_CODE> (1,801)
PTNCS

>  <AMOUNT_CURRENT> (1,801)
32.7

$$$$
WAY-626662
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.5250    1.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1875    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.2000    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
   -0.9083    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -3.3250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4417   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -3.8792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6208    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    1.2958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3333    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    3.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -4.6792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2667   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  1  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  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 10  1  0  0  0  0
 14 26  1  0  0  0  0
 15 13  1  0  0  0  0
 16 24  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  4  1  0  0  0  0
 21  5  2  0  0  0  0
 22 16  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  2  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 13  1  0  0  0  0
 29 28  1  0  0  0  0
 30 15  1  0  0  0  0
 31 19  1  0  0  0  0
 32 22  1  0  0  0  0
 33 29  1  0  0  0  0
 34 25  1  0  0  0  0
 18  8  1  0  0  0  0
 16  9  2  0  0  0  0
 31 32  1  0  0  0  0
 33 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,802)
1802

>  <Formula> (1,802)
C23H32N2O8S

>  <MolWeight> (1,802)
496.57378

>  <PCAT_CMPD_ID> (1,802)
WAY-626662

>  <CNC_ID> (1,802)
359335469

>  <transfer_container_id> (1,802)
PTN000000067

>  <COMPOUND_NUMBER> (1,802)
WAY-626662

>  <BAR_CODE_NO> (1,802)
90460869

>  <LOCATION_CODE> (1,802)
PTNCS

>  <AMOUNT_CURRENT> (1,802)
32.1

$$$$
WAY-626665
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.1667    4.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.1083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0875    2.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    5.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    5.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    0.3083    0.0000 S   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
    0.9542    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -3.0125    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  5  2  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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 15  1  0  0  0  0
 15  1  1  0  0  0  0
 16  2  1  0  0  0  0
 17  3  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20  9  1  0  0  0  0
 21 17  2  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 20  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
 28 24  1  0  0  0  0
 29 21  1  0  0  0  0
 30 26  1  0  0  0  0
 31 28  2  0  0  0  0
 14  8  1  0  0  0  0
  3  2  2  0  0  0  0
 30 29  2  0  0  0  0
 31 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,803)
1803

>  <Formula> (1,803)
C23H25N3O3S2

>  <MolWeight> (1,803)
455.5929

>  <PCAT_CMPD_ID> (1,803)
WAY-626665

>  <CNC_ID> (1,803)
359335472

>  <transfer_container_id> (1,803)
PTN000000067

>  <COMPOUND_NUMBER> (1,803)
WAY-626665

>  <BAR_CODE_NO> (1,803)
90460872

>  <LOCATION_CODE> (1,803)
PTNCS

>  <AMOUNT_CURRENT> (1,803)
32

$$$$
WAY-626694
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6125    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -0.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  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 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  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 18  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 21  2  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22  3  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
  2  4  1  0  0  0  0
 11  8  2  0  0  0  0
 10  7  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,804)
1804

>  <Formula> (1,804)
C18H16N2O3S

>  <MolWeight> (1,804)
340.39624

>  <PCAT_CMPD_ID> (1,804)
WAY-626694

>  <CNC_ID> (1,804)
359335500

>  <transfer_container_id> (1,804)
PTN000000067

>  <COMPOUND_NUMBER> (1,804)
WAY-626694

>  <BAR_CODE_NO> (1,804)
90460902

>  <LOCATION_CODE> (1,804)
PTNCS

>  <AMOUNT_CURRENT> (1,804)
32.2

$$$$
WAY-626751
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.1333    3.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6667   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.7083    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
    0.6500    3.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.8833    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
   -0.4333   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -5.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    5.4042    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  6  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 18  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  7  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  4  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  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 14  1  0  0  0  0
 28 14  2  0  0  0  0
 29 26  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
 17  8  1  0  0  0  0
 32 31  1  0  0  0  0
  4  2  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,805)
1805

>  <Formula> (1,805)
C23H27N3O5S

>  <MolWeight> (1,805)
457.54258

>  <PCAT_CMPD_ID> (1,805)
WAY-626751

>  <CNC_ID> (1,805)
359335557

>  <transfer_container_id> (1,805)
PTN000000067

>  <COMPOUND_NUMBER> (1,805)
WAY-626751

>  <BAR_CODE_NO> (1,805)
90460960

>  <LOCATION_CODE> (1,805)
PTNCS

>  <AMOUNT_CURRENT> (1,805)
32

$$$$
WAY-626756
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -0.3458   -2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    3.7333    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
   -0.6000   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.6958    0.0000 C   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
    1.0542    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    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 11  1  0  0  0  0
  4  3  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  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 17  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  2  0  0  0  0
 16  5  2  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  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 10  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 18  1  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 23  1  0  0  0  0
 31 27  1  0  0  0  0
  9  7  1  0  0  0  0
 29 28  1  0  0  0  0
 24 11  2  0  0  0  0
 10  8  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,806)
1806

>  <Formula> (1,806)
C22H26N6O3

>  <MolWeight> (1,806)
422.48024

>  <PCAT_CMPD_ID> (1,806)
WAY-626756

>  <CNC_ID> (1,806)
359335562

>  <transfer_container_id> (1,806)
PTN000000067

>  <COMPOUND_NUMBER> (1,806)
WAY-626756

>  <BAR_CODE_NO> (1,806)
90460965

>  <LOCATION_CODE> (1,806)
PTNCS

>  <AMOUNT_CURRENT> (1,806)
32.8

$$$$
WAY-626779
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.8417    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    4.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -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  8  1  0  0  0  0
  5 14  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  2  2  0  0  0  0
 10  3  2  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  6  1  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 17  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 19  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
 18 21  1  0  0  0  0
 12 13  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,807)
1807

>  <Formula> (1,807)
C20H25N3O3

>  <MolWeight> (1,807)
355.4308

>  <PCAT_CMPD_ID> (1,807)
WAY-626779

>  <CNC_ID> (1,807)
359335585

>  <transfer_container_id> (1,807)
PTN000000067

>  <COMPOUND_NUMBER> (1,807)
WAY-626779

>  <BAR_CODE_NO> (1,807)
90460989

>  <LOCATION_CODE> (1,807)
PTNCS

>  <AMOUNT_CURRENT> (1,807)
32.9

$$$$
WAY-626884
csChFnd80/11182011152D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.8542   -2.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.3333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1500    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -4.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.1625    0.0000 O   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
   -1.2958    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    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  1  0  0  0  0
  4 12  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  7  1  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 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16 25  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  3  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  1  0  0  0  0
 25 10  1  0  0  0  0
 26 12  1  0  0  0  0
  8  9  1  0  0  0  0
  6  5  1  0  0  0  0
 24 18  1  0  0  0  0
 17 23  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,808)
1808

>  <Formula> (1,808)
C19H28N4O2S

>  <MolWeight> (1,808)
376.51622

>  <PCAT_CMPD_ID> (1,808)
WAY-626884

>  <CNC_ID> (1,808)
359335689

>  <transfer_container_id> (1,808)
PTN000000067

>  <COMPOUND_NUMBER> (1,808)
WAY-626884

>  <BAR_CODE_NO> (1,808)
90461098

>  <LOCATION_CODE> (1,808)
PTNCS

>  <AMOUNT_CURRENT> (1,808)
32.8

$$$$
WAY-626957
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.2042   -1.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.9125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1792   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.9125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9708   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    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  1  1  0  0  0  0
  4 10  2  0  0  0  0
  5 14  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  8  1  0  0  0  0
 10 18  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 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17  1  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20  5  1  0  0  0  0
 21  9  2  0  0  0  0
 22 11  2  0  0  0  0
 23 15  2  0  0  0  0
 24 22  1  0  0  0  0
 25  8  1  0  0  0  0
 26 20  1  0  0  0  0
 27 20  2  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 27  1  0  0  0  0
 32 31  2  0  0  0  0
 16  7  1  0  0  0  0
  6  2  2  0  0  0  0
 22 23  1  0  0  0  0
 32 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,809)
1809

>  <Formula> (1,809)
C24H26N2O4S2

>  <MolWeight> (1,809)
470.60424

>  <PCAT_CMPD_ID> (1,809)
WAY-626957

>  <CNC_ID> (1,809)
359335761

>  <transfer_container_id> (1,809)
PTN000000067

>  <COMPOUND_NUMBER> (1,809)
WAY-626957

>  <BAR_CODE_NO> (1,809)
90461172

>  <LOCATION_CODE> (1,809)
PTNCS

>  <AMOUNT_CURRENT> (1,809)
32.4

$$$$
WAY-626986
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.3250   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.3917    0.0000 C   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
   -1.7583   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.8458    0.0000 C   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
    3.2500   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    1.2583    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
   -3.8958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    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  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  8  1  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 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  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 18  1  0  0  0  0
 17 12  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,810)
1810

>  <Formula> (1,810)
C16H23NO3

>  <MolWeight> (1,810)
277.35872

>  <PCAT_CMPD_ID> (1,810)
WAY-626986

>  <CNC_ID> (1,810)
359335790

>  <transfer_container_id> (1,810)
PTN000000067

>  <COMPOUND_NUMBER> (1,810)
WAY-626986

>  <BAR_CODE_NO> (1,810)
90461201

>  <LOCATION_CODE> (1,810)
PTNCS

>  <AMOUNT_CURRENT> (1,810)
32.4

$$$$
WAY-627079
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.2125   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -3.0750    0.0000 C   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
   -1.9875    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.3833    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
   -4.0500    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    2.0958    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  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 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 20  1  0  0  0  0
 12  8  2  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  8  1  0  0  0  0
 17 10  2  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
 21 11  1  0  0  0  0
 22  9  1  0  0  0  0
 23 14  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
  3  5  1  0  0  0  0
 15 18  2  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,811)
1811

>  <Formula> (1,811)
C19H25N5OS

>  <MolWeight> (1,811)
371.4997

>  <PCAT_CMPD_ID> (1,811)
WAY-627079

>  <CNC_ID> (1,811)
359335883

>  <transfer_container_id> (1,811)
PTN000000067

>  <COMPOUND_NUMBER> (1,811)
WAY-627079

>  <BAR_CODE_NO> (1,811)
90461296

>  <LOCATION_CODE> (1,811)
PTNCS

>  <AMOUNT_CURRENT> (1,811)
32.4

$$$$
WAY-627165
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4625    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  8  2  0  0  0  0
  4 15  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  1  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 13  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  2  0  0  0  0
 15 16  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  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  2  0  0  0  0
  6  3  1  0  0  0  0
 11  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,812)
1812

>  <Formula> (1,812)
C16H16N2O3S

>  <MolWeight> (1,812)
316.37484

>  <PCAT_CMPD_ID> (1,812)
WAY-627165

>  <CNC_ID> (1,812)
359335969

>  <transfer_container_id> (1,812)
PTN000000067

>  <COMPOUND_NUMBER> (1,812)
WAY-627165

>  <BAR_CODE_NO> (1,812)
90461382

>  <LOCATION_CODE> (1,812)
PTNCS

>  <AMOUNT_CURRENT> (1,812)
32.8

$$$$
WAY-627175
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.0208   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    3.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    3.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -4.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -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  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 20  1  0  0  0  0
  7 10  2  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  2  1  0  0  0  0
 12  6  2  0  0  0  0
 13 14  2  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 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  2  0  0  0  0
 23 13  1  0  0  0  0
 24 25  1  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 24  1  0  0  0  0
 29 23  1  0  0  0  0
 30 26  1  0  0  0  0
 31 27  1  0  0  0  0
  5  3  1  0  0  0  0
 13 15  1  0  0  0  0
  8  7  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,813)
1813

>  <Formula> (1,813)
C22H20N2O6S

>  <MolWeight> (1,813)
440.469

>  <PCAT_CMPD_ID> (1,813)
WAY-627175

>  <CNC_ID> (1,813)
359335979

>  <transfer_container_id> (1,813)
PTN000000067

>  <COMPOUND_NUMBER> (1,813)
WAY-627175

>  <BAR_CODE_NO> (1,813)
90461392

>  <LOCATION_CODE> (1,813)
PTNCS

>  <AMOUNT_CURRENT> (1,813)
32

$$$$
WAY-627218
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.6542    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.5208    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
    0.6542    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    2.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.7000    0.0000 C   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
   -2.2875   -3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.6167    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  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  8  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  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 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  2  0  0  0  0
 20  9  1  0  0  0  0
 21  9  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  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
 27 24  1  0  0  0  0
  5  3  1  0  0  0  0
 10  7  2  0  0  0  0
 25 24  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,814)
1814

>  <Formula> (1,814)
C19H14FN3O3S

>  <MolWeight> (1,814)
383.3961632

>  <PCAT_CMPD_ID> (1,814)
WAY-627218

>  <CNC_ID> (1,814)
359336022

>  <transfer_container_id> (1,814)
PTN000000067

>  <COMPOUND_NUMBER> (1,814)
WAY-627218

>  <BAR_CODE_NO> (1,814)
90461435

>  <LOCATION_CODE> (1,814)
PTNCS

>  <AMOUNT_CURRENT> (1,814)
32.4

$$$$
WAY-627522
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.4643   -1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2022   -2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954   -1.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022   -2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9781   -2.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392   -0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747   -2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3185   -1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918   -3.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6289   -0.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495    0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9392    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5506    0.9588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8702    1.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6599    2.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4599    2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2495    3.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
  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> (1,815)
1815

>  <Formula> (1,815)
C16H14N2O2

>  <MolWeight> (1,815)
266.29456

>  <PCAT_CMPD_ID> (1,815)
WAY-627522

>  <CNC_ID> (1,815)
359336326

>  <transfer_container_id> (1,815)
PTN000000067

>  <COMPOUND_NUMBER> (1,815)
WAY-627522

>  <BAR_CODE_NO> (1,815)
90461750

>  <LOCATION_CODE> (1,815)
PTNCS

>  <AMOUNT_CURRENT> (1,815)
32.8

$$$$
WAY-627631
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.9792    1.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.9292    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7167    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    1.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.7167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250   -2.7500    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  1  2  0  0  0  0
  8  1  2  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 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  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 16  1  0  0  0  0
 23 15  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
 22 23  1  0  0  0  0
  9  2  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,816)
1816

>  <Formula> (1,816)
C18H21N3O4S

>  <MolWeight> (1,816)
375.44204

>  <PCAT_CMPD_ID> (1,816)
WAY-627631

>  <CNC_ID> (1,816)
359336435

>  <transfer_container_id> (1,816)
PTN000000067

>  <COMPOUND_NUMBER> (1,816)
WAY-627631

>  <BAR_CODE_NO> (1,816)
90461864

>  <LOCATION_CODE> (1,816)
PTNCS

>  <AMOUNT_CURRENT> (1,816)
32.1

$$$$
WAY-627663
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.4167    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -4.4875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7250   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.5500    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
    1.8042   -1.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    4.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -4.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -3.2375    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
    0.4167    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  5  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 23  1  0  0  0  0
 17 29  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20  3  2  0  0  0  0
 21  7  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 19  2  0  0  0  0
 25 19  1  0  0  0  0
 26 15  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  5  1  0  0  0  0
 31 10  1  0  0  0  0
 32 17  1  0  0  0  0
 33 30  2  0  0  0  0
 34 33  1  0  0  0  0
 10  4  1  0  0  0  0
 12  8  2  0  0  0  0
 31 34  2  0  0  0  0
 28 17  1  0  0  0  0
 16 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,817)
1817

>  <Formula> (1,817)
C24H24N6O3S

>  <MolWeight> (1,817)
476.55076

>  <PCAT_CMPD_ID> (1,817)
WAY-627663

>  <CNC_ID> (1,817)
359336467

>  <transfer_container_id> (1,817)
PTN000000067

>  <COMPOUND_NUMBER> (1,817)
WAY-627663

>  <BAR_CODE_NO> (1,817)
90461897

>  <LOCATION_CODE> (1,817)
PTNCS

>  <AMOUNT_CURRENT> (1,817)
32.2

$$$$
WAY-627697
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1917    0.0000    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
   -0.2958    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.6667    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
   -1.0750   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    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  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  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  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 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  2  0  0  0  0
 10  9  2  0  0  0  0
  6  5  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,818)
1818

>  <Formula> (1,818)
C12H12N4

>  <MolWeight> (1,818)
212.25048

>  <PCAT_CMPD_ID> (1,818)
WAY-627697

>  <CNC_ID> (1,818)
359336501

>  <transfer_container_id> (1,818)
PTN000000067

>  <COMPOUND_NUMBER> (1,818)
WAY-627697

>  <BAR_CODE_NO> (1,818)
90461931

>  <LOCATION_CODE> (1,818)
PTNCS

>  <AMOUNT_CURRENT> (1,818)
32.8

$$$$
WAY-627287
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.7958   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -1.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    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  5  1  0  0  0  0
  5  7  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 13  2  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 20  1  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 22  1  0  0  0  0
 17  3  2  0  0  0  0
 18 12  2  0  0  0  0
 19  1  1  0  0  0  0
 20 24  1  0  0  0  0
 21 10  2  0  0  0  0
 22 12  1  0  0  0  0
 23 14  2  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26  9  1  0  0  0  0
 27 25  1  0  0  0  0
  6 11  1  0  0  0  0
  8  4  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,819)
1819

>  <Formula> (1,819)
C18H19N3O4S2

>  <MolWeight> (1,819)
405.49116

>  <PCAT_CMPD_ID> (1,819)
WAY-627287

>  <CNC_ID> (1,819)
359336091

>  <transfer_container_id> (1,819)
PTN000000067

>  <COMPOUND_NUMBER> (1,819)
WAY-627287

>  <BAR_CODE_NO> (1,819)
90461506

>  <LOCATION_CODE> (1,819)
PTNCS

>  <AMOUNT_CURRENT> (1,819)
32.3

$$$$
WAY-627300
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2125    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.9833    0.0000 S   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
    1.4792    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.6625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    3.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -0.9875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -3.4625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.2500    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  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 13  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  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  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  7  2  0  0  0  0
 19 14  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
 23  5  1  0  0  0  0
 24 20  1  0  0  0  0
 25  6  1  0  0  0  0
 26  8  1  0  0  0  0
 27 13  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
 16 11  2  0  0  0  0
 28 26  2  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,820)
1820

>  <Formula> (1,820)
C21H15F2N3OS2

>  <MolWeight> (1,820)
427.4901064

>  <PCAT_CMPD_ID> (1,820)
WAY-627300

>  <CNC_ID> (1,820)
359336104

>  <transfer_container_id> (1,820)
PTN000000067

>  <COMPOUND_NUMBER> (1,820)
WAY-627300

>  <BAR_CODE_NO> (1,820)
90461519

>  <LOCATION_CODE> (1,820)
PTNCS

>  <AMOUNT_CURRENT> (1,820)
32.1

$$$$
WAY-627301
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.9750    0.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    2.0958    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  2  1  0  0  0  0
  5 11  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  8  2  0  0  0  0
 10  1  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  5  2  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 20  2  0  0  0  0
 19  4  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  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 24  1  0  0  0  0
 21 18  1  0  0  0  0
 26 25  1  0  0  0  0
  7  4  1  0  0  0  0
M  END
>  <Mol_ID> (1,821)
1821

>  <Formula> (1,821)
C17H20N4O4S

>  <MolWeight> (1,821)
376.4301

>  <PCAT_CMPD_ID> (1,821)
WAY-627301

>  <CNC_ID> (1,821)
359336105

>  <transfer_container_id> (1,821)
PTN000000067

>  <COMPOUND_NUMBER> (1,821)
WAY-627301

>  <BAR_CODE_NO> (1,821)
90461520

>  <LOCATION_CODE> (1,821)
PTNCS

>  <AMOUNT_CURRENT> (1,821)
32.5

$$$$
WAY-627367
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.1792   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    0.4250    0.0000 C   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
    4.5292   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6208    0.2833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -0.4375    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  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13  2  1  0  0  0  0
 14 15  1  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 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20  3  1  0  0  0  0
 21 26  2  0  0  0  0
 22 18  1  0  0  0  0
 23  5  1  0  0  0  0
 24 21  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 22  1  0  0  0  0
 28 22  2  0  0  0  0
  2  5  1  0  0  0  0
 12  9  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,822)
1822

>  <Formula> (1,822)
C20H21FN4O2S

>  <MolWeight> (1,822)
400.4697432

>  <PCAT_CMPD_ID> (1,822)
WAY-627367

>  <CNC_ID> (1,822)
359336171

>  <transfer_container_id> (1,822)
PTN000000067

>  <COMPOUND_NUMBER> (1,822)
WAY-627367

>  <BAR_CODE_NO> (1,822)
90461588

>  <LOCATION_CODE> (1,822)
PTNCS

>  <AMOUNT_CURRENT> (1,822)
32.3

$$$$
WAY-627382
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3522    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3522    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742   -0.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668   -0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    0.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3902    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3902    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742    1.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668   -0.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2398   -0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178   -1.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2398   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9092    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9092   -0.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178   -1.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252    0.0659    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  5  1  0  0  0  0
  8  7  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  4  2  0  0  0  0
 12  5  2  0  0  0  0
  9 13  2  0  0  0  0
 14 10  2  0  0  0  0
 15 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  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
  4  7  1  0  0  0  0
 17 21  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,823)
1823

>  <Formula> (1,823)
C18H15NO3

>  <MolWeight> (1,823)
293.3166

>  <PCAT_CMPD_ID> (1,823)
WAY-627382

>  <CNC_ID> (1,823)
359336186

>  <transfer_container_id> (1,823)
PTN000000067

>  <COMPOUND_NUMBER> (1,823)
WAY-627382

>  <BAR_CODE_NO> (1,823)
90461603

>  <LOCATION_CODE> (1,823)
PTNCS

>  <AMOUNT_CURRENT> (1,823)
32.7

$$$$
WAY-627432
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.3583    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -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 11  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  3  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  6  2  0  0  0  0
 12  8  2  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 13  2  0  0  0  0
 17 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  2  0  0  0  0
 24 21  2  0  0  0  0
  9 10  2  0  0  0  0
  3  5  2  0  0  0  0
 23 24  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,824)
1824

>  <Formula> (1,824)
C18H13N3O3

>  <MolWeight> (1,824)
319.31412

>  <PCAT_CMPD_ID> (1,824)
WAY-627432

>  <CNC_ID> (1,824)
359336236

>  <transfer_container_id> (1,824)
PTN000000067

>  <COMPOUND_NUMBER> (1,824)
WAY-627432

>  <BAR_CODE_NO> (1,824)
90461656

>  <LOCATION_CODE> (1,824)
PTNCS

>  <AMOUNT_CURRENT> (1,824)
32.7

$$$$
WAY-627441
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.3042   -2.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -3.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -3.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    5.3792    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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8 22  1  0  0  0  0
  9 17  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  9  1  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  4  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 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  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
 23 17  1  0  0  0  0
 19 21  2  0  0  0  0
  4  2  2  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,825)
1825

>  <Formula> (1,825)
C19H19N3O5S2

>  <MolWeight> (1,825)
433.50126

>  <PCAT_CMPD_ID> (1,825)
WAY-627441

>  <CNC_ID> (1,825)
359336245

>  <transfer_container_id> (1,825)
PTN000000067

>  <COMPOUND_NUMBER> (1,825)
WAY-627441

>  <BAR_CODE_NO> (1,825)
90461665

>  <LOCATION_CODE> (1,825)
PTNCS

>  <AMOUNT_CURRENT> (1,825)
32.8

$$$$
WAY-644835
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.1042    0.9333    0.0000 N   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
    0.5875    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    2.0208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1417   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  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  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  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 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 16  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
  6  5  1  0  0  0  0
 10  9  2  0  0  0  0
 26 25  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,826)
1826

>  <Formula> (1,826)
C20H17N3OS2

>  <MolWeight> (1,826)
379.49848

>  <PCAT_CMPD_ID> (1,826)
WAY-644835

>  <CNC_ID> (1,826)
359337507

>  <transfer_container_id> (1,826)
PTN000000067

>  <COMPOUND_NUMBER> (1,826)
WAY-644835

>  <BAR_CODE_NO> (1,826)
90479415

>  <LOCATION_CODE> (1,826)
PTNCS

>  <AMOUNT_CURRENT> (1,826)
32.3

$$$$
WAY-644844
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1542    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -1.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -0.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.7208    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 13  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  4  1  0  0  0  0
 10  1  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  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
  7  3  1  0  0  0  0
 20 17  2  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,827)
1827

>  <Formula> (1,827)
C14H11NO3S2

>  <MolWeight> (1,827)
305.37204

>  <PCAT_CMPD_ID> (1,827)
WAY-644844

>  <CNC_ID> (1,827)
359337516

>  <transfer_container_id> (1,827)
PTN000000067

>  <COMPOUND_NUMBER> (1,827)
WAY-644844

>  <BAR_CODE_NO> (1,827)
90479426

>  <LOCATION_CODE> (1,827)
PTNCS

>  <AMOUNT_CURRENT> (1,827)
32.8

$$$$
WAY-644856
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0500    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.6083    0.0000 C   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
   -0.2333   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    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  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 16  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  6  1  0  0  0  0
 11  7  2  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  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 18  1  0  0  0  0
 20 18  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
 23 22  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,828)
1828

>  <Formula> (1,828)
C16H15N3O3S

>  <MolWeight> (1,828)
329.3736

>  <PCAT_CMPD_ID> (1,828)
WAY-644856

>  <CNC_ID> (1,828)
359337528

>  <transfer_container_id> (1,828)
PTN000000067

>  <COMPOUND_NUMBER> (1,828)
WAY-644856

>  <BAR_CODE_NO> (1,828)
90479438

>  <LOCATION_CODE> (1,828)
PTNCS

>  <AMOUNT_CURRENT> (1,828)
32.6

$$$$
WAY-644873
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.2417    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
   -0.5583    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -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  3  2  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  7  1  0  0  0  0
  9 18  2  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14  4  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  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 11  2  0  0  0  0
 22 10  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  4  5  1  0  0  0  0
 23 14  2  0  0  0  0
 24 13  2  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,829)
1829

>  <Formula> (1,829)
C22H21NO

>  <MolWeight> (1,829)
315.40824

>  <PCAT_CMPD_ID> (1,829)
WAY-644873

>  <CNC_ID> (1,829)
359337545

>  <transfer_container_id> (1,829)
PTN000000067

>  <COMPOUND_NUMBER> (1,829)
WAY-644873

>  <BAR_CODE_NO> (1,829)
90479455

>  <LOCATION_CODE> (1,829)
PTNCS

>  <AMOUNT_CURRENT> (1,829)
32.6

$$$$
WAY-644916
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.4542   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -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  5  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  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  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 14  1  0  0  0  0
 17 15  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 14  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
  6  9  1  0  0  0  0
 16 18  2  0  0  0  0
 11 10  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,830)
1830

>  <Formula> (1,830)
C16H14N8S

>  <MolWeight> (1,830)
350.40096

>  <PCAT_CMPD_ID> (1,830)
WAY-644916

>  <CNC_ID> (1,830)
359337588

>  <transfer_container_id> (1,830)
PTN000000067

>  <COMPOUND_NUMBER> (1,830)
WAY-644916

>  <BAR_CODE_NO> (1,830)
90479499

>  <LOCATION_CODE> (1,830)
PTNCS

>  <AMOUNT_CURRENT> (1,830)
32.7

$$$$
WAY-644948
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.2167    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    1.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2167   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2167    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.8958    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  2  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  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  8  1  0  0  0  0
 16  8  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  5  1  0  0  0  0
 22 21  1  0  0  0  0
 23  7  1  0  0  0  0
 24 22  1  0  0  0  0
 25  6  1  0  0  0  0
 26 14  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
  4 13  1  0  0  0  0
 24 14  1  0  0  0  0
 28 26  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,831)
1831

>  <Formula> (1,831)
C23H28FN3O

>  <MolWeight> (1,831)
381.4863232

>  <PCAT_CMPD_ID> (1,831)
WAY-644948

>  <CNC_ID> (1,831)
359337620

>  <transfer_container_id> (1,831)
PTN000000067

>  <COMPOUND_NUMBER> (1,831)
WAY-644948

>  <BAR_CODE_NO> (1,831)
90479531

>  <LOCATION_CODE> (1,831)
PTNCS

>  <AMOUNT_CURRENT> (1,831)
32.1

$$$$
WAY-644986
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.2500    1.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    0.6125    0.0000 C   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
   -1.9500   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.0917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -3.6667    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  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  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  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  8  2  0  0  0  0
 17 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21  7  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 19  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 25  1  0  0  0  0
 27 26  1  0  0  0  0
 17 12  1  0  0  0  0
  9 10  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,832)
1832

>  <Formula> (1,832)
C21H23ClN4O3S

>  <MolWeight> (1,832)
446.95032

>  <PCAT_CMPD_ID> (1,832)
WAY-644986

>  <CNC_ID> (1,832)
359337658

>  <transfer_container_id> (1,832)
PTN000000067

>  <COMPOUND_NUMBER> (1,832)
WAY-644986

>  <BAR_CODE_NO> (1,832)
90479571

>  <LOCATION_CODE> (1,832)
PTNCS

>  <AMOUNT_CURRENT> (1,832)
33

$$$$
WAY-645002
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5625    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.3250    0.0000 N   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
    0.1542    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.5625    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
    0.8667   -0.5000    0.0000 O   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    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -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 13  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  4  1  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  4  2  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 14  1  0  0  0  0
 16 18  2  0  0  0  0
 17  5  2  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 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 16 17  1  0  0  0  0
 12  3  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,833)
1833

>  <Formula> (1,833)
C17H21N5O

>  <MolWeight> (1,833)
311.38154

>  <PCAT_CMPD_ID> (1,833)
WAY-645002

>  <CNC_ID> (1,833)
359337674

>  <transfer_container_id> (1,833)
PTN000000067

>  <COMPOUND_NUMBER> (1,833)
WAY-645002

>  <BAR_CODE_NO> (1,833)
90479587

>  <LOCATION_CODE> (1,833)
PTNCS

>  <AMOUNT_CURRENT> (1,833)
32.5

$$$$
WAY-645040
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.4917   -3.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    3.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0625    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -4.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -4.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    4.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4958    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -1.3167    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  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  8  2  0  0  0  0
 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 21  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  7  2  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 19  1  0  0  0  0
 22 13  2  0  0  0  0
 23 11  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 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  2  0  0  0  0
 30 26  1  0  0  0  0
 16  6  1  0  0  0  0
  7  5  1  0  0  0  0
 28 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,834)
1834

>  <Formula> (1,834)
C20H25N3O6S

>  <MolWeight> (1,834)
435.494

>  <PCAT_CMPD_ID> (1,834)
WAY-645040

>  <CNC_ID> (1,834)
359337712

>  <transfer_container_id> (1,834)
PTN000000067

>  <COMPOUND_NUMBER> (1,834)
WAY-645040

>  <BAR_CODE_NO> (1,834)
90479625

>  <LOCATION_CODE> (1,834)
PTNCS

>  <AMOUNT_CURRENT> (1,834)
32.7

$$$$
WAY-645077
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.6125    0.7500    0.0000 N   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   -0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.4958    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
    0.0000   -0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    5.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    8.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6292    3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    7.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8792    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1667    8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.7458    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
   -3.8542   10.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1583    9.7667    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  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  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 11  2  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
  6  5  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,835)
1835

>  <Formula> (1,835)
C16H14N4O2

>  <MolWeight> (1,835)
294.30796

>  <PCAT_CMPD_ID> (1,835)
WAY-645077

>  <CNC_ID> (1,835)
359337749

>  <transfer_container_id> (1,835)
PTN000000067

>  <COMPOUND_NUMBER> (1,835)
WAY-645077

>  <BAR_CODE_NO> (1,835)
90479662

>  <LOCATION_CODE> (1,835)
PTNCS

>  <AMOUNT_CURRENT> (1,835)
32.5

$$$$
WAY-645080
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.3216    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216   -0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492    1.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3871    1.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3871   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1664    0.5593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4699    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733   -0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4699   -0.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    1.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    2.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    1.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301    0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301   -0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577   -2.5476    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  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
 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
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,836)
1836

>  <Formula> (1,836)
C15H13BrN2O

>  <MolWeight> (1,836)
317.18052

>  <PCAT_CMPD_ID> (1,836)
WAY-645080

>  <CNC_ID> (1,836)
359337752

>  <transfer_container_id> (1,836)
PTN000000067

>  <COMPOUND_NUMBER> (1,836)
WAY-645080

>  <BAR_CODE_NO> (1,836)
90479665

>  <LOCATION_CODE> (1,836)
PTNCS

>  <AMOUNT_CURRENT> (1,836)
32.7

$$$$
WAY-645103
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.5000    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -3.1042    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  9  1  0  0  0  0
  8  6  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 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  2  0  0  0  0
 17  5  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 22  1  0  0  0  0
 22 20  2  0  0  0  0
  4  5  2  0  0  0  0
 14 15  2  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,837)
1837

>  <Formula> (1,837)
C15H13N3O3S

>  <MolWeight> (1,837)
315.34702

>  <PCAT_CMPD_ID> (1,837)
WAY-645103

>  <CNC_ID> (1,837)
359337775

>  <transfer_container_id> (1,837)
PTN000000067

>  <COMPOUND_NUMBER> (1,837)
WAY-645103

>  <BAR_CODE_NO> (1,837)
90479688

>  <LOCATION_CODE> (1,837)
PTNCS

>  <AMOUNT_CURRENT> (1,837)
32.3

$$$$
WAY-645178
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.3667   -0.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -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 14  1  0  0  0  0
  4  3  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  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  2  0  0  0  0
 17 19  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  2  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 26  2  0  0  0  0
  3 15  1  0  0  0  0
 28 27  1  0  0  0  0
 17 13  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,838)
1838

>  <Formula> (1,838)
C21H25N3O3S

>  <MolWeight> (1,838)
399.5065

>  <PCAT_CMPD_ID> (1,838)
WAY-645178

>  <CNC_ID> (1,838)
359337850

>  <transfer_container_id> (1,838)
PTN000000067

>  <COMPOUND_NUMBER> (1,838)
WAY-645178

>  <BAR_CODE_NO> (1,838)
90479765

>  <LOCATION_CODE> (1,838)
PTNCS

>  <AMOUNT_CURRENT> (1,838)
32.8

$$$$
WAY-645209
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.0958    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    3.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    2.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    3.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -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  2  0  0  0  0
  4  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 17  1  0  0  0  0
  7  2  2  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  2  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  1  0  0  0  0
 18  4  2  0  0  0  0
 19  4  1  0  0  0  0
 20  6  2  0  0  0  0
 21  5  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 10  1  0  0  0  0
 26 18  1  0  0  0  0
 27 23  1  0  0  0  0
 13 11  1  0  0  0  0
 12  7  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,839)
1839

>  <Formula> (1,839)
C19H20N4O3S

>  <MolWeight> (1,839)
384.4521

>  <PCAT_CMPD_ID> (1,839)
WAY-645209

>  <CNC_ID> (1,839)
359337881

>  <transfer_container_id> (1,839)
PTN000000067

>  <COMPOUND_NUMBER> (1,839)
WAY-645209

>  <BAR_CODE_NO> (1,839)
90479796

>  <LOCATION_CODE> (1,839)
PTNCS

>  <AMOUNT_CURRENT> (1,839)
32.3

$$$$
WAY-645286
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.4125    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.9583    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
    0.1792   -1.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4125    3.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.5417    0.0000 C   0  0  0  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  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  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  7  2  0  0  0  0
 14  4  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  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
  6  9  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,840)
1840

>  <Formula> (1,840)
C13H17N3O3

>  <MolWeight> (1,840)
263.29238

>  <PCAT_CMPD_ID> (1,840)
WAY-645286

>  <CNC_ID> (1,840)
359337958

>  <transfer_container_id> (1,840)
PTN000000067

>  <COMPOUND_NUMBER> (1,840)
WAY-645286

>  <BAR_CODE_NO> (1,840)
90479873

>  <LOCATION_CODE> (1,840)
PTNCS

>  <AMOUNT_CURRENT> (1,840)
32.6

$$$$
WAY-645333
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.8917   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    0.5333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    3.3958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    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  4  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  8  1  0  0  0  0
  8 12  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 21  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15  1  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 14  2  0  0  0  0
 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23  4  1  0  0  0  0
 24 19  1  0  0  0  0
 25  5  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
  3  5  1  0  0  0  0
 30 29  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,841)
1841

>  <Formula> (1,841)
C21H18Cl2N4O3

>  <MolWeight> (1,841)
445.29862

>  <PCAT_CMPD_ID> (1,841)
WAY-645333

>  <CNC_ID> (1,841)
359338005

>  <transfer_container_id> (1,841)
PTN000000067

>  <COMPOUND_NUMBER> (1,841)
WAY-645333

>  <BAR_CODE_NO> (1,841)
90479921

>  <LOCATION_CODE> (1,841)
PTNCS

>  <AMOUNT_CURRENT> (1,841)
32.6

$$$$
WAY-645335
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.3250   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.3750    0.0000 C   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
   -0.4750    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    1.7250    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 13  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  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  1  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 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20  3  1  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  5  1  0  0  0  0
 25 21  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 27  2  0  0  0  0
  2  4  1  0  0  0  0
 29 28  1  0  0  0  0
 13 16  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,842)
1842

>  <Formula> (1,842)
C23H21N3O3

>  <MolWeight> (1,842)
387.43114

>  <PCAT_CMPD_ID> (1,842)
WAY-645335

>  <CNC_ID> (1,842)
359338007

>  <transfer_container_id> (1,842)
PTN000000067

>  <COMPOUND_NUMBER> (1,842)
WAY-645335

>  <BAR_CODE_NO> (1,842)
90479923

>  <LOCATION_CODE> (1,842)
PTNCS

>  <AMOUNT_CURRENT> (1,842)
32.5

$$$$
WAY-645342
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.2292    0.0000 N   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
   -1.1708   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.5875    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
    3.9042   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -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 11  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  4  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 18  1  0  0  0  0
 12  2  1  0  0  0  0
 13  1  2  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 17 14  1  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 19  1  0  0  0  0
 22 11  2  0  0  0  0
 23  6  1  0  0  0  0
 24 10  1  0  0  0  0
 25 16  1  0  0  0  0
 26 16  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  8  2  0  0  0  0
 29 28  1  0  0  0  0
  2 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,843)
1843

>  <Formula> (1,843)
C21H19N3O2S3

>  <MolWeight> (1,843)
441.58946

>  <PCAT_CMPD_ID> (1,843)
WAY-645342

>  <CNC_ID> (1,843)
359338014

>  <transfer_container_id> (1,843)
PTN000000067

>  <COMPOUND_NUMBER> (1,843)
WAY-645342

>  <BAR_CODE_NO> (1,843)
90479930

>  <LOCATION_CODE> (1,843)
PTNCS

>  <AMOUNT_CURRENT> (1,843)
32.6

$$$$
WAY-645401
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.4833   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.8375    0.0000 C   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
    0.8917   -4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -4.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.6583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7083    1.5458    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
    1.3667    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.3458    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
    2.0375    2.1458    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
   -0.7583    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    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  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  1  0  0  0  0
  8  2  1  0  0  0  0
  9 16  1  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  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15 18  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  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 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 20  2  0  0  0  0
 28 21  1  0  0  0  0
 29 22  2  0  0  0  0
 30 26  2  0  0  0  0
 31 28  2  0  0  0  0
  4  3  1  0  0  0  0
 19 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,844)
1844

>  <Formula> (1,844)
C23H24N4O3S

>  <MolWeight> (1,844)
436.52666

>  <PCAT_CMPD_ID> (1,844)
WAY-645401

>  <CNC_ID> (1,844)
359338073

>  <transfer_container_id> (1,844)
PTN000000067

>  <COMPOUND_NUMBER> (1,844)
WAY-645401

>  <BAR_CODE_NO> (1,844)
90479989

>  <LOCATION_CODE> (1,844)
PTNCS

>  <AMOUNT_CURRENT> (1,844)
32.9

$$$$
WAY-645440
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.0667   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7958   -0.6625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0833    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
    4.9167    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  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  7  1  0  0  0  0
  9 20  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  9  2  0  0  0  0
 14  8  2  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  6  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 23  2  0  0  0  0
 22  8  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 14  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 28 25  2  0  0  0  0
 26 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,845)
1845

>  <Formula> (1,845)
C19H19BrN6OS

>  <MolWeight> (1,845)
459.36276

>  <PCAT_CMPD_ID> (1,845)
WAY-645440

>  <CNC_ID> (1,845)
359338112

>  <transfer_container_id> (1,845)
PTN000000067

>  <COMPOUND_NUMBER> (1,845)
WAY-645440

>  <BAR_CODE_NO> (1,845)
90480029

>  <LOCATION_CODE> (1,845)
PTNCS

>  <AMOUNT_CURRENT> (1,845)
32.6

$$$$
WAY-645450
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.4042    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.3125    0.0000 N   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
   -0.7333    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    2.4333    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
    0.5375    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -2.9250    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
   -0.2083   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.5500    0.0000 C   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
    0.0500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.6250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    2.2708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    3.2458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -1.8667    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  9  1  0  0  0  0
  5 17  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  5  2  0  0  0  0
 10 16  1  0  0  0  0
 11  3  1  0  0  0  0
 12 14  2  0  0  0  0
 13  1  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  2  0  0  0  0
 16 13  2  0  0  0  0
 17  2  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 10  2  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 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 14  1  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
 10  2  1  0  0  0  0
  4  3  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,846)
1846

>  <Formula> (1,846)
C18H16F3N3O5

>  <MolWeight> (1,846)
411.3319496

>  <PCAT_CMPD_ID> (1,846)
WAY-645450

>  <CNC_ID> (1,846)
359338122

>  <transfer_container_id> (1,846)
PTN000000067

>  <COMPOUND_NUMBER> (1,846)
WAY-645450

>  <BAR_CODE_NO> (1,846)
90480040

>  <LOCATION_CODE> (1,846)
PTNCS

>  <AMOUNT_CURRENT> (1,846)
32.8

$$$$
WAY-645495
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.7917    2.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    3.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    2.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    1.0458    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   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -4.6167    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  5  1  0  0  0  0
  5 16  1  0  0  0  0
  6 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  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  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  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  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20 17  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 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
 23 22  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,847)
1847

>  <Formula> (1,847)
C20H23N3O2S

>  <MolWeight> (1,847)
369.48052

>  <PCAT_CMPD_ID> (1,847)
WAY-645495

>  <CNC_ID> (1,847)
359338167

>  <transfer_container_id> (1,847)
PTN000000067

>  <COMPOUND_NUMBER> (1,847)
WAY-645495

>  <BAR_CODE_NO> (1,847)
90480086

>  <LOCATION_CODE> (1,847)
PTNCS

>  <AMOUNT_CURRENT> (1,847)
32.7

$$$$
WAY-645528
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -1.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    1.3875    0.0000 C   0  0  0  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  9  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 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14  4  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
  6  4  2  0  0  0  0
 19 20  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,848)
1848

>  <Formula> (1,848)
C15H18N2OS2

>  <MolWeight> (1,848)
306.44622

>  <PCAT_CMPD_ID> (1,848)
WAY-645528

>  <CNC_ID> (1,848)
359338200

>  <transfer_container_id> (1,848)
PTN000000067

>  <COMPOUND_NUMBER> (1,848)
WAY-645528

>  <BAR_CODE_NO> (1,848)
90480120

>  <LOCATION_CODE> (1,848)
PTNCS

>  <AMOUNT_CURRENT> (1,848)
32.1

$$$$
WAY-645537
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.4292   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -1.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.2667    0.0000 O   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
    0.1125    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.0417    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
    0.5792   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    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  7  1  0  0  0  0
  5 10  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  5  1  0  0  0  0
 10 15  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18 11  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  9  1  0  0  0  0
 23 14  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
  4  3  1  0  0  0  0
 25 21  2  0  0  0  0
 14 18  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,849)
1849

>  <Formula> (1,849)
C20H17N3O4

>  <MolWeight> (1,849)
363.36668

>  <PCAT_CMPD_ID> (1,849)
WAY-645537

>  <CNC_ID> (1,849)
359338209

>  <transfer_container_id> (1,849)
PTN000000067

>  <COMPOUND_NUMBER> (1,849)
WAY-645537

>  <BAR_CODE_NO> (1,849)
90480130

>  <LOCATION_CODE> (1,849)
PTNCS

>  <AMOUNT_CURRENT> (1,849)
32.2

$$$$
WAY-645544
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.0542   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.9042    0.0000 C   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
   -0.3708    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.6667    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
   -2.5125    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.5708    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  5  2  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  2  0  0  0  0
 14  2  2  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  2  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  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  2  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
  2  4  1  0  0  0  0
 26 22  2  0  0  0  0
 11 15  2  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,850)
1850

>  <Formula> (1,850)
C20H18N4O3

>  <MolWeight> (1,850)
362.38192

>  <PCAT_CMPD_ID> (1,850)
WAY-645544

>  <CNC_ID> (1,850)
359338216

>  <transfer_container_id> (1,850)
PTN000000067

>  <COMPOUND_NUMBER> (1,850)
WAY-645544

>  <BAR_CODE_NO> (1,850)
90480137

>  <LOCATION_CODE> (1,850)
PTNCS

>  <AMOUNT_CURRENT> (1,850)
32.4

$$$$
WAY-645549
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.9750    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.5333    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
   -2.2458    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8917    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
   -1.2083    1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.3250    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  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  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  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  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  6  2  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 21  2  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
 10 11  2  0  0  0  0
 24 25  1  0  0  0  0
  6  8  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,851)
1851

>  <Formula> (1,851)
C20H17N3O4

>  <MolWeight> (1,851)
363.36668

>  <PCAT_CMPD_ID> (1,851)
WAY-645549

>  <CNC_ID> (1,851)
359338221

>  <transfer_container_id> (1,851)
PTN000000067

>  <COMPOUND_NUMBER> (1,851)
WAY-645549

>  <BAR_CODE_NO> (1,851)
90480142

>  <LOCATION_CODE> (1,851)
PTNCS

>  <AMOUNT_CURRENT> (1,851)
32

$$$$
WAY-645653
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.4750   -1.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    2.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    2.0083    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  2  1  0  0  0  0
  5 13  2  0  0  0  0
  6 11  2  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  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13 17  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 16  2  0  0  0  0
 18 24  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21  4  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  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 22  2  0  0  0  0
 28 27  1  0  0  0  0
 18 25  1  0  0  0  0
 13 11  1  0  0  0  0
  2  3  2  0  0  0  0
  8  4  1  0  0  0  0
 28 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,852)
1852

>  <Formula> (1,852)
C20H20N4O3S

>  <MolWeight> (1,852)
396.4628

>  <PCAT_CMPD_ID> (1,852)
WAY-645653

>  <CNC_ID> (1,852)
359338325

>  <transfer_container_id> (1,852)
PTN000000067

>  <COMPOUND_NUMBER> (1,852)
WAY-645653

>  <BAR_CODE_NO> (1,852)
90480246

>  <LOCATION_CODE> (1,852)
PTNCS

>  <AMOUNT_CURRENT> (1,852)
32.3

$$$$
WAY-645660
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.6625   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.6250    0.0000 C   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
   -1.1958    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.8500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  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  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14  4  2  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
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
  8  3  1  0  0  0  0
 12 10  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,853)
1853

>  <Formula> (1,853)
C14H9FN2O3

>  <MolWeight> (1,853)
272.2312632

>  <PCAT_CMPD_ID> (1,853)
WAY-645660

>  <CNC_ID> (1,853)
359338332

>  <transfer_container_id> (1,853)
PTN000000067

>  <COMPOUND_NUMBER> (1,853)
WAY-645660

>  <BAR_CODE_NO> (1,853)
90480253

>  <LOCATION_CODE> (1,853)
PTNCS

>  <AMOUNT_CURRENT> (1,853)
32.6

$$$$
WAY-645703
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.5000   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.0250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.4375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7833    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.0375    0.0000 C   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
    2.9667   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -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  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  2  0  0  0  0
  8  5  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 21  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  5  2  0  0  0  0
 20  7  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  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
 20 10  2  0  0  0  0
 25 26  1  0  0  0  0
 13  9  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,854)
1854

>  <Formula> (1,854)
C18H17N3O5

>  <MolWeight> (1,854)
355.34468

>  <PCAT_CMPD_ID> (1,854)
WAY-645703

>  <CNC_ID> (1,854)
359338375

>  <transfer_container_id> (1,854)
PTN000000067

>  <COMPOUND_NUMBER> (1,854)
WAY-645703

>  <BAR_CODE_NO> (1,854)
90480297

>  <LOCATION_CODE> (1,854)
PTNCS

>  <AMOUNT_CURRENT> (1,854)
32.8

$$$$
WAY-645711
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4792   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2333    2.7958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -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  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  3  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 18  2  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 15  1  0  0  0  0
  3  4  2  0  0  0  0
 14 15  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,855)
1855

>  <Formula> (1,855)
C17H18FNOS

>  <MolWeight> (1,855)
303.3943232

>  <PCAT_CMPD_ID> (1,855)
WAY-645711

>  <CNC_ID> (1,855)
359338383

>  <transfer_container_id> (1,855)
PTN000000067

>  <COMPOUND_NUMBER> (1,855)
WAY-645711

>  <BAR_CODE_NO> (1,855)
90480305

>  <LOCATION_CODE> (1,855)
PTNCS

>  <AMOUNT_CURRENT> (1,855)
32.8

$$$$
WAY-645746
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3458    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -2.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.7833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 15  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  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 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17  5  1  0  0  0  0
 18  5  1  0  0  0  0
 19  8  2  0  0  0  0
 20 24  2  0  0  0  0
 21 23  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25  8  1  0  0  0  0
 13  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12 21  2  0  0  0  0
 16  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,856)
1856

>  <Formula> (1,856)
C18H18N4O2S

>  <MolWeight> (1,856)
354.42612

>  <PCAT_CMPD_ID> (1,856)
WAY-645746

>  <CNC_ID> (1,856)
359338418

>  <transfer_container_id> (1,856)
PTN000000067

>  <COMPOUND_NUMBER> (1,856)
WAY-645746

>  <BAR_CODE_NO> (1,856)
90480340

>  <LOCATION_CODE> (1,856)
PTNCS

>  <AMOUNT_CURRENT> (1,856)
32.1

$$$$
WAY-645760
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.8833    0.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    1.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    1.2375    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  3  2  0  0  0  0
  5  9  1  0  0  0  0
  6  2  2  0  0  0  0
  7 14  1  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  6  1  0  0  0  0
 12 16  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  2  0  0  0  0
 15  1  1  0  0  0  0
 16 23  1  0  0  0  0
 17  1  2  0  0  0  0
 18  1  2  0  0  0  0
 19 21  2  0  0  0  0
 20  4  1  0  0  0  0
 21 10  1  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
 24  5  1  0  0  0  0
 25 11  1  0  0  0  0
 26 13  1  0  0  0  0
 27 15  1  0  0  0  0
 28 15  1  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
  9  7  2  0  0  0  0
  4  5  1  0  0  0  0
 13 11  2  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,857)
1857

>  <Formula> (1,857)
C21H27N5O3S2

>  <MolWeight> (1,857)
461.60078

>  <PCAT_CMPD_ID> (1,857)
WAY-645760

>  <CNC_ID> (1,857)
359338432

>  <transfer_container_id> (1,857)
PTN000000067

>  <COMPOUND_NUMBER> (1,857)
WAY-645760

>  <BAR_CODE_NO> (1,857)
90480354

>  <LOCATION_CODE> (1,857)
PTNCS

>  <AMOUNT_CURRENT> (1,857)
32

$$$$
WAY-645782
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.4542   -3.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.8667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0417   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.4333    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.0417    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 14  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  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12 15  1  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  2  1  0  0  0  0
 17  1  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  2  0  0  0  0
 20 11  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24  6  1  0  0  0  0
 25 24  1  0  0  0  0
 13  5  1  0  0  0  0
 12 11  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,858)
1858

>  <Formula> (1,858)
C16H18BrN3O4S

>  <MolWeight> (1,858)
428.30082

>  <PCAT_CMPD_ID> (1,858)
WAY-645782

>  <CNC_ID> (1,858)
359338454

>  <transfer_container_id> (1,858)
PTN000000067

>  <COMPOUND_NUMBER> (1,858)
WAY-645782

>  <BAR_CODE_NO> (1,858)
90480376

>  <LOCATION_CODE> (1,858)
PTNCS

>  <AMOUNT_CURRENT> (1,858)
32.9

$$$$
WAY-645795
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.7333    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.5083    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
    0.0292   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.7917    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  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  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  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  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  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 17  2  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 16  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 11 10  1  0  0  0  0
 21 15  2  0  0  0  0
  5  4  2  0  0  0  0
 27 23  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,859)
1859

>  <Formula> (1,859)
C23H16N4

>  <MolWeight> (1,859)
348.39994

>  <PCAT_CMPD_ID> (1,859)
WAY-645795

>  <CNC_ID> (1,859)
359338467

>  <transfer_container_id> (1,859)
PTN000000067

>  <COMPOUND_NUMBER> (1,859)
WAY-645795

>  <BAR_CODE_NO> (1,859)
90480390

>  <LOCATION_CODE> (1,859)
PTNCS

>  <AMOUNT_CURRENT> (1,859)
32.9

$$$$
WAY-645808
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.1625    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.2833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -3.5375    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
   -1.2958    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    3.3708    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  2  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  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  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  5  2  0  0  0  0
 15  8  1  0  0  0  0
 16 21  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19  7  1  0  0  0  0
 20  6  1  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 23 10  1  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
 26 17  1  0  0  0  0
 27 17  1  0  0  0  0
 28 15  1  0  0  0  0
 29 15  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
 10  9  1  0  0  0  0
  8  7  1  0  0  0  0
 16 22  2  0  0  0  0
 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,860)
1860

>  <Formula> (1,860)
C24H25N5O2S

>  <MolWeight> (1,860)
447.5526

>  <PCAT_CMPD_ID> (1,860)
WAY-645808

>  <CNC_ID> (1,860)
359338480

>  <transfer_container_id> (1,860)
PTN000000067

>  <COMPOUND_NUMBER> (1,860)
WAY-645808

>  <BAR_CODE_NO> (1,860)
90480403

>  <LOCATION_CODE> (1,860)
PTNCS

>  <AMOUNT_CURRENT> (1,860)
32.6

$$$$
WAY-645818
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.1833   -1.5167    0.0000 C   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
   -0.6083   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -1.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    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  2  2  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  8  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  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  4  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  1  0  0  0  0
 19 13  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
 10 11  1  0  0  0  0
  6  5  2  0  0  0  0
 25 21  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,861)
1861

>  <Formula> (1,861)
C21H17N3O

>  <MolWeight> (1,861)
327.37918

>  <PCAT_CMPD_ID> (1,861)
WAY-645818

>  <CNC_ID> (1,861)
359338490

>  <transfer_container_id> (1,861)
PTN000000067

>  <COMPOUND_NUMBER> (1,861)
WAY-645818

>  <BAR_CODE_NO> (1,861)
90480414

>  <LOCATION_CODE> (1,861)
PTNCS

>  <AMOUNT_CURRENT> (1,861)
32.7

$$$$
WAY-645833
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0042   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -3.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    4.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    4.6167    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  1  1  0  0  0  0
  5  4  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 15  1  0  0  0  0
 10  6  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
 15 10  1  0  0  0  0
 16  8  1  0  0  0  0
 17  6  2  0  0  0  0
 18  9  2  0  0  0  0
 19  2  1  0  0  0  0
 20  5  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
  3  5  2  0  0  0  0
  8 14  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,862)
1862

>  <Formula> (1,862)
C18H21N3O3S

>  <MolWeight> (1,862)
359.44264

>  <PCAT_CMPD_ID> (1,862)
WAY-645833

>  <CNC_ID> (1,862)
359338505

>  <transfer_container_id> (1,862)
PTN000000067

>  <COMPOUND_NUMBER> (1,862)
WAY-645833

>  <BAR_CODE_NO> (1,862)
90480429

>  <LOCATION_CODE> (1,862)
PTNCS

>  <AMOUNT_CURRENT> (1,862)
32.2

$$$$
WAY-645837
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.7250    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.3208    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
    2.5875   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -2.9875    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
    2.0292   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  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  2  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  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 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22  8  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 25  2  0  0  0  0
  5  4  2  0  0  0  0
 11 18  2  0  0  0  0
 27 26  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,863)
1863

>  <Formula> (1,863)
C19H20N6O2

>  <MolWeight> (1,863)
364.4011

>  <PCAT_CMPD_ID> (1,863)
WAY-645837

>  <CNC_ID> (1,863)
359338509

>  <transfer_container_id> (1,863)
PTN000000067

>  <COMPOUND_NUMBER> (1,863)
WAY-645837

>  <BAR_CODE_NO> (1,863)
90480433

>  <LOCATION_CODE> (1,863)
PTNCS

>  <AMOUNT_CURRENT> (1,863)
33

$$$$
WAY-645841
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.1042    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.5833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2917    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    1.9125    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
   -1.2208    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.2542    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
   -0.3208    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.4083    0.0000 C   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
   -0.0208   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    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  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  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9 19  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12 16  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  1  1  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 21  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22  7  1  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
 26 22  2  0  0  0  0
 27 23  2  0  0  0  0
  3  5  1  0  0  0  0
 12  7  2  0  0  0  0
 17 20  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,864)
1864

>  <Formula> (1,864)
C22H24N2O3

>  <MolWeight> (1,864)
364.43756

>  <PCAT_CMPD_ID> (1,864)
WAY-645841

>  <CNC_ID> (1,864)
359338513

>  <transfer_container_id> (1,864)
PTN000000067

>  <COMPOUND_NUMBER> (1,864)
WAY-645841

>  <BAR_CODE_NO> (1,864)
90480437

>  <LOCATION_CODE> (1,864)
PTNCS

>  <AMOUNT_CURRENT> (1,864)
32.7

$$$$
WAY-645857
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.9083   -0.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -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  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  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  7  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 18  1  0  0  0  0
 17  3  1  0  0  0  0
 18 15  1  0  0  0  0
  4  6  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,865)
1865

>  <Formula> (1,865)
C13H13NO3S

>  <MolWeight> (1,865)
263.31222

>  <PCAT_CMPD_ID> (1,865)
WAY-645857

>  <CNC_ID> (1,865)
359338529

>  <transfer_container_id> (1,865)
PTN000000067

>  <COMPOUND_NUMBER> (1,865)
WAY-645857

>  <BAR_CODE_NO> (1,865)
90480454

>  <LOCATION_CODE> (1,865)
PTNCS

>  <AMOUNT_CURRENT> (1,865)
32.9

$$$$
WAY-645927
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.4375   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.0792    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  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
  3  2  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,866)
1866

>  <Formula> (1,866)
C12H12N2O4

>  <MolWeight> (1,866)
248.23468

>  <PCAT_CMPD_ID> (1,866)
WAY-645927

>  <CNC_ID> (1,866)
359338600

>  <transfer_container_id> (1,866)
PTN000000067

>  <COMPOUND_NUMBER> (1,866)
WAY-645927

>  <BAR_CODE_NO> (1,866)
90480524

>  <LOCATION_CODE> (1,866)
PTNCS

>  <AMOUNT_CURRENT> (1,866)
32.4

$$$$
WAY-645985
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.7125   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.5208    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
    1.6250   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.8833    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
    1.4500    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  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 14  1  0  0  0  0
  9  8  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 12  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 11  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 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
 23 22  1  0  0  0  0
 10  6  1  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,867)
1867

>  <Formula> (1,867)
C17H16N6

>  <MolWeight> (1,867)
304.34914

>  <PCAT_CMPD_ID> (1,867)
WAY-645985

>  <CNC_ID> (1,867)
359338658

>  <transfer_container_id> (1,867)
PTN000000067

>  <COMPOUND_NUMBER> (1,867)
WAY-645985

>  <BAR_CODE_NO> (1,867)
90480582

>  <LOCATION_CODE> (1,867)
PTNCS

>  <AMOUNT_CURRENT> (1,867)
32.1

$$$$
WAY-645992
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2042   -1.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.2625    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
   -0.5750   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.1458    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
   -1.2958   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.8500    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
   -0.1333    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    3.1583    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  6  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  5  1  0  0  0  0
 10  9  1  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  4  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  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 17  2  0  0  0  0
  4  3  1  0  0  0  0
 18 14  2  0  0  0  0
 12 10  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,868)
1868

>  <Formula> (1,868)
C16H14N2O2S

>  <MolWeight> (1,868)
298.35956

>  <PCAT_CMPD_ID> (1,868)
WAY-645992

>  <CNC_ID> (1,868)
359338665

>  <transfer_container_id> (1,868)
PTN000000067

>  <COMPOUND_NUMBER> (1,868)
WAY-645992

>  <BAR_CODE_NO> (1,868)
90480589

>  <LOCATION_CODE> (1,868)
PTNCS

>  <AMOUNT_CURRENT> (1,868)
32.2

$$$$
WAY-646014
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -3.1333   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.4667    0.0000 S   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
   -3.6208   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.8042    0.0000 C   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
    0.5792    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8333    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8333   -0.5000    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  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  7  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  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 20  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  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 14  2  0  0  0  0
 22 14  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 23  1  0  0  0  0
 28 12  1  0  0  0  0
 29 13  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
 13 12  2  0  0  0  0
 15 19  1  0  0  0  0
 32 31  1  0  0  0  0
  8  5  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,869)
1869

>  <Formula> (1,869)
C24H24N4O3S

>  <MolWeight> (1,869)
448.53736

>  <PCAT_CMPD_ID> (1,869)
WAY-646014

>  <CNC_ID> (1,869)
359338687

>  <transfer_container_id> (1,869)
PTN000000067

>  <COMPOUND_NUMBER> (1,869)
WAY-646014

>  <BAR_CODE_NO> (1,869)
90480611

>  <LOCATION_CODE> (1,869)
PTNCS

>  <AMOUNT_CURRENT> (1,869)
32.4

$$$$
WAY-646029
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8833   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -2.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.8708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8458    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    3.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    3.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -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  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  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
 20 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 13  2  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,870)
1870

>  <Formula> (1,870)
C15H14O5

>  <MolWeight> (1,870)
274.26866

>  <PCAT_CMPD_ID> (1,870)
WAY-646029

>  <CNC_ID> (1,870)
359338702

>  <transfer_container_id> (1,870)
PTN000000067

>  <COMPOUND_NUMBER> (1,870)
WAY-646029

>  <BAR_CODE_NO> (1,870)
90480626

>  <LOCATION_CODE> (1,870)
PTNCS

>  <AMOUNT_CURRENT> (1,870)
32.1

$$$$
WAY-646040
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1917    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -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  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  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 10  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 16  1  0  0  0  0
  4  3  1  0  0  0  0
 18 15  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,871)
1871

>  <Formula> (1,871)
C14H19N5

>  <MolWeight> (1,871)
257.33416

>  <PCAT_CMPD_ID> (1,871)
WAY-646040

>  <CNC_ID> (1,871)
359338713

>  <transfer_container_id> (1,871)
PTN000000067

>  <COMPOUND_NUMBER> (1,871)
WAY-646040

>  <BAR_CODE_NO> (1,871)
90480637

>  <LOCATION_CODE> (1,871)
PTNCS

>  <AMOUNT_CURRENT> (1,871)
32.7

$$$$
WAY-646071
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.7208   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -1.4792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -3.9542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    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 11  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 12  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12 14  1  0  0  0  0
 13  1  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  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
 15 10  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,872)
1872

>  <Formula> (1,872)
C14H12BrFN2O2

>  <MolWeight> (1,872)
339.1596832

>  <PCAT_CMPD_ID> (1,872)
WAY-646071

>  <CNC_ID> (1,872)
359338744

>  <transfer_container_id> (1,872)
PTN000000067

>  <COMPOUND_NUMBER> (1,872)
WAY-646071

>  <BAR_CODE_NO> (1,872)
90480668

>  <LOCATION_CODE> (1,872)
PTNCS

>  <AMOUNT_CURRENT> (1,872)
32.5

$$$$
WAY-646107
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.5458   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    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  1  1  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  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  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 10  1  0  0  0  0
 20 14  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 19  2  0  0  0  0
 25 20  2  0  0  0  0
  5  3  1  0  0  0  0
 23 18  2  0  0  0  0
 14 10  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,873)
1873

>  <Formula> (1,873)
C20H19N3O2

>  <MolWeight> (1,873)
333.38376

>  <PCAT_CMPD_ID> (1,873)
WAY-646107

>  <CNC_ID> (1,873)
359338780

>  <transfer_container_id> (1,873)
PTN000000067

>  <COMPOUND_NUMBER> (1,873)
WAY-646107

>  <BAR_CODE_NO> (1,873)
90480704

>  <LOCATION_CODE> (1,873)
PTNCS

>  <AMOUNT_CURRENT> (1,873)
32.7

$$$$
WAY-646145
csChFnd80/11182011152D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -0.7458    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2458    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -3.5667    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 17  1  0  0  0  0
  7  2  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12 20  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17 22  1  0  0  0  0
 18 14  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 10  1  0  0  0  0
 24 13  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  2  0  0  0  0
  3  5  1  0  0  0  0
 12  9  2  0  0  0  0
 18 16  1  0  0  0  0
 13 10  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,874)
1874

>  <Formula> (1,874)
C18H14N2O5S

>  <MolWeight> (1,874)
370.37916

>  <PCAT_CMPD_ID> (1,874)
WAY-646145

>  <CNC_ID> (1,874)
359338818

>  <transfer_container_id> (1,874)
PTN000000067

>  <COMPOUND_NUMBER> (1,874)
WAY-646145

>  <BAR_CODE_NO> (1,874)
90480742

>  <LOCATION_CODE> (1,874)
PTNCS

>  <AMOUNT_CURRENT> (1,874)
32.3

$$$$
WAY-646162
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.1375   -2.3542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -2.7667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    3.4208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.1833    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  3  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  1  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12 14  2  0  0  0  0
 13 11  2  0  0  0  0
 14  3  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17  4  1  0  0  0  0
 18 20  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
  5  4  2  0  0  0  0
 19 17  2  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,875)
1875

>  <Formula> (1,875)
C15H9FN2O3

>  <MolWeight> (1,875)
284.2419632

>  <PCAT_CMPD_ID> (1,875)
WAY-646162

>  <CNC_ID> (1,875)
359338835

>  <transfer_container_id> (1,875)
PTN000000067

>  <COMPOUND_NUMBER> (1,875)
WAY-646162

>  <BAR_CODE_NO> (1,875)
90480759

>  <LOCATION_CODE> (1,875)
PTNCS

>  <AMOUNT_CURRENT> (1,875)
32

$$$$
WAY-646210
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.1208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    2.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.6125    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
  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  3  1  0  0  0  0
  7 13  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 12  2  0  0  0  0
 12  1  1  0  0  0  0
 13  9  1  0  0  0  0
 14 19  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  7  1  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  1  0  0  0  0
 23 21  1  0  0  0  0
 11  8  1  0  0  0  0
 10  5  1  0  0  0  0
 23 22  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,876)
1876

>  <Formula> (1,876)
C17H24N4OS

>  <MolWeight> (1,876)
332.46366

>  <PCAT_CMPD_ID> (1,876)
WAY-646210

>  <CNC_ID> (1,876)
359338883

>  <transfer_container_id> (1,876)
PTN000000067

>  <COMPOUND_NUMBER> (1,876)
WAY-646210

>  <BAR_CODE_NO> (1,876)
90480807

>  <LOCATION_CODE> (1,876)
PTNCS

>  <AMOUNT_CURRENT> (1,876)
32.3

$$$$
WAY-646212
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8917    1.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -3.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -3.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -2.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    3.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -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 11  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  4  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 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  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
 20 23  1  0  0  0  0
 21  2  1  0  0  0  0
 22  2  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
 13 18  2  0  0  0  0
 20 24  1  0  0  0  0
 10  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,877)
1877

>  <Formula> (1,877)
C16H18N2O4S3

>  <MolWeight> (1,877)
398.52012

>  <PCAT_CMPD_ID> (1,877)
WAY-646212

>  <CNC_ID> (1,877)
359338885

>  <transfer_container_id> (1,877)
PTN000000067

>  <COMPOUND_NUMBER> (1,877)
WAY-646212

>  <BAR_CODE_NO> (1,877)
90480809

>  <LOCATION_CODE> (1,877)
PTNCS

>  <AMOUNT_CURRENT> (1,877)
32.8

$$$$
WAY-646228
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.3875    1.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.9250    0.0000 C   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
    1.1000    2.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -3.4000    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
   -1.0458   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    2.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    3.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -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  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 16  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  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  3  2  0  0  0  0
 18 27  1  0  0  0  0
 19 15  1  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22 19  2  0  0  0  0
 23 15  1  0  0  0  0
 24  7  1  0  0  0  0
 25  8  1  0  0  0  0
 26 10  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 11  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
 18 28  1  0  0  0  0
 16 22  1  0  0  0  0
  6  8  1  0  0  0  0
 25 29  1  0  0  0  0
 33 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,878)
1878

>  <Formula> (1,878)
C24H25N3O5S

>  <MolWeight> (1,878)
467.5374

>  <PCAT_CMPD_ID> (1,878)
WAY-646228

>  <CNC_ID> (1,878)
359338901

>  <transfer_container_id> (1,878)
PTN000000067

>  <COMPOUND_NUMBER> (1,878)
WAY-646228

>  <BAR_CODE_NO> (1,878)
90480825

>  <LOCATION_CODE> (1,878)
PTNCS

>  <AMOUNT_CURRENT> (1,878)
32.3

$$$$
WAY-646234
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.3875   -0.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -0.6042    0.0000 N   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
   -2.3250   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5625    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  4  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  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 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12 19  1  0  0  0  0
 13 11  2  0  0  0  0
 14 21  2  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17  9  1  0  0  0  0
 18  3  2  0  0  0  0
 19 17  2  0  0  0  0
 20 10  2  0  0  0  0
 21 11  1  0  0  0  0
 22  2  1  0  0  0  0
 23  6  1  0  0  0  0
 24  8  1  0  0  0  0
 25  8  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 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 25  1  0  0  0  0
 32 24  1  0  0  0  0
 33 31  1  0  0  0  0
 34 30  1  0  0  0  0
 28 19  1  0  0  0  0
 33 32  1  0  0  0  0
  4  7  2  0  0  0  0
  6  2  1  0  0  0  0
 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,879)
1879

>  <Formula> (1,879)
C25H28N4O4S

>  <MolWeight> (1,879)
480.57922

>  <PCAT_CMPD_ID> (1,879)
WAY-646234

>  <CNC_ID> (1,879)
359338907

>  <transfer_container_id> (1,879)
PTN000000067

>  <COMPOUND_NUMBER> (1,879)
WAY-646234

>  <BAR_CODE_NO> (1,879)
90480831

>  <LOCATION_CODE> (1,879)
PTNCS

>  <AMOUNT_CURRENT> (1,879)
32.3

$$$$
WAY-646236
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.5500   -1.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    0.4708    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
    4.2667   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.0583    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
   -0.7333    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.7667    0.0000 O   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
    2.8375    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    0.8833    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  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  1  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 19  2  0  0  0  0
 14 22  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  9  2  0  0  0  0
 19 11  1  0  0  0  0
 20 10  2  0  0  0  0
 21 10  1  0  0  0  0
 22 26  1  0  0  0  0
 23  2  1  0  0  0  0
 24  6  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27  8  1  0  0  0  0
 28  8  1  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 28  1  0  0  0  0
 32 27  1  0  0  0  0
 33 30  1  0  0  0  0
 22 25  2  0  0  0  0
 32 31  1  0  0  0  0
  4  7  2  0  0  0  0
  6  2  1  0  0  0  0
 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,880)
1880

>  <Formula> (1,880)
C24H26N4O4S

>  <MolWeight> (1,880)
466.55264

>  <PCAT_CMPD_ID> (1,880)
WAY-646236

>  <CNC_ID> (1,880)
359338909

>  <transfer_container_id> (1,880)
PTN000000067

>  <COMPOUND_NUMBER> (1,880)
WAY-646236

>  <BAR_CODE_NO> (1,880)
90480833

>  <LOCATION_CODE> (1,880)
PTNCS

>  <AMOUNT_CURRENT> (1,880)
32.5

$$$$
WAY-646241
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2250    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -3.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -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  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 13  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  6  2  0  0  0  0
 13 17  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16  3  1  0  0  0  0
 17 19  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 15  1  0  0  0  0
  7  3  2  0  0  0  0
  9  4  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,881)
1881

>  <Formula> (1,881)
C13H14N6O2S

>  <MolWeight> (1,881)
318.35426

>  <PCAT_CMPD_ID> (1,881)
WAY-646241

>  <CNC_ID> (1,881)
359338914

>  <transfer_container_id> (1,881)
PTN000000067

>  <COMPOUND_NUMBER> (1,881)
WAY-646241

>  <BAR_CODE_NO> (1,881)
90480838

>  <LOCATION_CODE> (1,881)
PTNCS

>  <AMOUNT_CURRENT> (1,881)
33

$$$$
WAY-646316
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.1000    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3125   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3125    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 12  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  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14  1  1  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  8  1  0  0  0  0
 19  2  2  0  0  0  0
 20  4  2  0  0  0  0
 21  7  2  0  0  0  0
 22 18  2  0  0  0  0
 23 13  2  0  0  0  0
 24 14  1  0  0  0  0
 25 10  1  0  0  0  0
 26 17  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
  6  8  2  0  0  0  0
 15 22  1  0  0  0  0
 17  9  1  0  0  0  0
 31 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,882)
1882

>  <Formula> (1,882)
C22H20N4O5

>  <MolWeight> (1,882)
420.418

>  <PCAT_CMPD_ID> (1,882)
WAY-646316

>  <CNC_ID> (1,882)
359338989

>  <transfer_container_id> (1,882)
PTN000000067

>  <COMPOUND_NUMBER> (1,882)
WAY-646316

>  <BAR_CODE_NO> (1,882)
90480917

>  <LOCATION_CODE> (1,882)
PTNCS

>  <AMOUNT_CURRENT> (1,882)
32.7

$$$$
WAY-646317
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.8625   -1.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -3.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -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  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  5  2  0  0  0  0
  8 14  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  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14 12  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20 17  2  0  0  0  0
 21  5  1  0  0  0  0
 22 20  1  0  0  0  0
 23  7  1  0  0  0  0
 24 25  1  0  0  0  0
 25 16  2  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 28  1  0  0  0  0
  4  2  1  0  0  0  0
 29 23  2  0  0  0  0
 26 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,883)
1883

>  <Formula> (1,883)
C22H22N2O5

>  <MolWeight> (1,883)
394.42048

>  <PCAT_CMPD_ID> (1,883)
WAY-646317

>  <CNC_ID> (1,883)
359338990

>  <transfer_container_id> (1,883)
PTN000000067

>  <COMPOUND_NUMBER> (1,883)
WAY-646317

>  <BAR_CODE_NO> (1,883)
90480918

>  <LOCATION_CODE> (1,883)
PTNCS

>  <AMOUNT_CURRENT> (1,883)
32.8

$$$$
WAY-646407
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -2.3458   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750    2.1208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   -1.2417    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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 20  1  0  0  0  0
 12  4  1  0  0  0  0
 13  1  1  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 13  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 23  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  2  0  0  0  0
 24 21  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 26  2  0  0  0  0
 10  9  2  0  0  0  0
 19 11  1  0  0  0  0
 28 27  1  0  0  0  0
  3  4  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,884)
1884

>  <Formula> (1,884)
C21H19FN4OS

>  <MolWeight> (1,884)
394.4651632

>  <PCAT_CMPD_ID> (1,884)
WAY-646407

>  <CNC_ID> (1,884)
359339080

>  <transfer_container_id> (1,884)
PTN000000067

>  <COMPOUND_NUMBER> (1,884)
WAY-646407

>  <BAR_CODE_NO> (1,884)
90481012

>  <LOCATION_CODE> (1,884)
PTNCS

>  <AMOUNT_CURRENT> (1,884)
32.4

$$$$
WAY-646468
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6167    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    3.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -3.9417    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 12  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  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  1  1  0  0  0  0
 14  4  1  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  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 20  1  0  0  0  0
 22 19  1  0  0  0  0
 15 16  1  0  0  0  0
  6 11  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,885)
1885

>  <Formula> (1,885)
C18H24N2O2

>  <MolWeight> (1,885)
300.39536

>  <PCAT_CMPD_ID> (1,885)
WAY-646468

>  <CNC_ID> (1,885)
359339141

>  <transfer_container_id> (1,885)
PTN000000067

>  <COMPOUND_NUMBER> (1,885)
WAY-646468

>  <BAR_CODE_NO> (1,885)
90481073

>  <LOCATION_CODE> (1,885)
PTNCS

>  <AMOUNT_CURRENT> (1,885)
32

$$$$
WAY-646473
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.9750   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -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  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  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  2  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  9  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
  5  4  2  0  0  0  0
 17 11  1  0  0  0  0
 23 22  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,886)
1886

>  <Formula> (1,886)
C17H13N5O

>  <MolWeight> (1,886)
303.31802

>  <PCAT_CMPD_ID> (1,886)
WAY-646473

>  <CNC_ID> (1,886)
359339146

>  <transfer_container_id> (1,886)
PTN000000067

>  <COMPOUND_NUMBER> (1,886)
WAY-646473

>  <BAR_CODE_NO> (1,886)
90481078

>  <LOCATION_CODE> (1,886)
PTNCS

>  <AMOUNT_CURRENT> (1,886)
32.9

$$$$
WAY-646502
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.3083   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    3.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -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  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 14  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  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  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 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
  6  5  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,887)
1887

>  <Formula> (1,887)
C14H18N4O3

>  <MolWeight> (1,887)
290.31772

>  <PCAT_CMPD_ID> (1,887)
WAY-646502

>  <CNC_ID> (1,887)
359339175

>  <transfer_container_id> (1,887)
PTN000000067

>  <COMPOUND_NUMBER> (1,887)
WAY-646502

>  <BAR_CODE_NO> (1,887)
90481110

>  <LOCATION_CODE> (1,887)
PTNCS

>  <AMOUNT_CURRENT> (1,887)
32.6

$$$$
WAY-646515
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.5542    2.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    2.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    5.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -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  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 18  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13 25  1  0  0  0  0
 14  3  2  0  0  0  0
 15  3  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 12  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  2  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 16  1  0  0  0  0
 27  9  1  0  0  0  0
 28 19  1  0  0  0  0
 20 22  2  0  0  0  0
 13 26  1  0  0  0  0
 19 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,888)
1888

>  <Formula> (1,888)
C21H26N2O4S

>  <MolWeight> (1,888)
402.50714

>  <PCAT_CMPD_ID> (1,888)
WAY-646515

>  <CNC_ID> (1,888)
359339188

>  <transfer_container_id> (1,888)
PTN000000067

>  <COMPOUND_NUMBER> (1,888)
WAY-646515

>  <BAR_CODE_NO> (1,888)
90481123

>  <LOCATION_CODE> (1,888)
PTNCS

>  <AMOUNT_CURRENT> (1,888)
32.6

$$$$
WAY-646564
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.8978   -1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0006   -0.8210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800   -0.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5431   -2.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2292   -1.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.1833    0.0000 N   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
    1.6026   -0.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1311   -0.1061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0872   -1.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6516   -0.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8848   -1.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510   -1.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596   -1.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -0.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8332   -0.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6037   -2.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9706   -1.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3451   -3.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312   -2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -1.0750    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  7  3  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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 11  2  0  0  0  0
 15 14  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  5  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  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
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
  5  2  1  0  0  0  0
 12 17  2  0  0  0  0
 23 19  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,889)
1889

>  <Formula> (1,889)
C21H20N2O3

>  <MolWeight> (1,889)
348.3951

>  <PCAT_CMPD_ID> (1,889)
WAY-646564

>  <CNC_ID> (1,889)
359339237

>  <transfer_container_id> (1,889)
PTN000000067

>  <COMPOUND_NUMBER> (1,889)
WAY-646564

>  <BAR_CODE_NO> (1,889)
90481172

>  <LOCATION_CODE> (1,889)
PTNCS

>  <AMOUNT_CURRENT> (1,889)
32.1

$$$$
WAY-646585
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.7458    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    2.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    2.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -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  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  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  6  1  0  0  0  0
 10 17  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  7  1  0  0  0  0
 15 12  2  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 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
  4  3  1  0  0  0  0
 16 13  2  0  0  0  0
  7  9  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,890)
1890

>  <Formula> (1,890)
C16H12N4OS

>  <MolWeight> (1,890)
308.35768

>  <PCAT_CMPD_ID> (1,890)
WAY-646585

>  <CNC_ID> (1,890)
359339258

>  <transfer_container_id> (1,890)
PTN000000067

>  <COMPOUND_NUMBER> (1,890)
WAY-646585

>  <BAR_CODE_NO> (1,890)
90481194

>  <LOCATION_CODE> (1,890)
PTNCS

>  <AMOUNT_CURRENT> (1,890)
32.5

$$$$
WAY-646976
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    2.9000    2.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -2.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    2.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.0667    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
    0.6667   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083   -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  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  2  0  0  0  0
  7  3  1  0  0  0  0
  8 20  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  6  1  0  0  0  0
 13 18  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  7  1  0  0  0  0
 18 22  1  0  0  0  0
 19 13  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
 23  4  1  0  0  0  0
 24  5  1  0  0  0  0
 25 12  1  0  0  0  0
 26 14  1  0  0  0  0
 27 28  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  2  0  0  0  0
 30 26  2  0  0  0  0
  4  3  1  0  0  0  0
 27 23  2  0  0  0  0
 18 21  1  0  0  0  0
 14 12  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,891)
1891

>  <Formula> (1,891)
C21H19N3O4S2

>  <MolWeight> (1,891)
441.52326

>  <PCAT_CMPD_ID> (1,891)
WAY-646976

>  <CNC_ID> (1,891)
359339649

>  <transfer_container_id> (1,891)
PTN000000067

>  <COMPOUND_NUMBER> (1,891)
WAY-646976

>  <BAR_CODE_NO> (1,891)
90481590

>  <LOCATION_CODE> (1,891)
PTNCS

>  <AMOUNT_CURRENT> (1,891)
32.7

$$$$
WAY-646980
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6875   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -3.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    3.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.5500    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  2  0  0  0  0
  5 11  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  2  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 15  1  0  0  0  0
 14 12  2  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 20  1  0  0  0  0
 18 16  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 18  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
  6 10  2  0  0  0  0
 17 19  2  0  0  0  0
  8  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,892)
1892

>  <Formula> (1,892)
C17H18N4O3S

>  <MolWeight> (1,892)
358.41482

>  <PCAT_CMPD_ID> (1,892)
WAY-646980

>  <CNC_ID> (1,892)
359339653

>  <transfer_container_id> (1,892)
PTN000000067

>  <COMPOUND_NUMBER> (1,892)
WAY-646980

>  <BAR_CODE_NO> (1,892)
90481594

>  <LOCATION_CODE> (1,892)
PTNCS

>  <AMOUNT_CURRENT> (1,892)
32.4

$$$$
CL-426236
csChFnd80/11182011152D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.5216    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9749    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5286    1.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9818    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232   -1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0045    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094   -1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4700    0.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286   -2.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9232    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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  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
M  END
>  <Mol_ID> (1,893)
1893

>  <Formula> (1,893)
C10H6N2O2

>  <MolWeight> (1,893)
186.16684

>  <PCAT_CMPD_ID> (1,893)
CL-426236

>  <CNC_ID> (1,893)
359339950

>  <transfer_container_id> (1,893)
PTN000000068

>  <COMPOUND_NUMBER> (1,893)
CL-426236

>  <BAR_CODE_NO> (1,893)
90481984

>  <LOCATION_CODE> (1,893)
PTNCS

>  <AMOUNT_CURRENT> (1,893)
32.9

$$$$
WAY-111428
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.2355   10.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8172   10.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0697   10.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8294   11.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2209    9.2950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880   11.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807    9.9907    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2428   12.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8123    8.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0697   12.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    7.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0429    7.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002    7.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564    7.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2785    7.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6968    6.4252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6894    7.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2857    5.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5237    6.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7016    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9371    5.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5237    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  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
 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  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
  9 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,894)
1894

>  <Formula> (1,894)
C16H19FN2O4

>  <MolWeight> (1,894)
322.3314632

>  <PCAT_CMPD_ID> (1,894)
WAY-111428

>  <CNC_ID> (1,894)
359340013

>  <transfer_container_id> (1,894)
PTN000000068

>  <COMPOUND_NUMBER> (1,894)
WAY-111428

>  <BAR_CODE_NO> (1,894)
90462450

>  <LOCATION_CODE> (1,894)
PTNCS

>  <AMOUNT_CURRENT> (1,894)
32.3

$$$$
WAY-273174
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7667   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -0.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.7417    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
    4.6417    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -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 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
  8  9  2  0  0  0  0
  6  7  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,895)
1895

>  <Formula> (1,895)
C14H14N4OS

>  <MolWeight> (1,895)
286.35216

>  <PCAT_CMPD_ID> (1,895)
WAY-273174

>  <CNC_ID> (1,895)
359340453

>  <transfer_container_id> (1,895)
PTN000000068

>  <COMPOUND_NUMBER> (1,895)
WAY-273174

>  <BAR_CODE_NO> (1,895)
391118

>  <LOCATION_CODE> (1,895)
PTNCS

>  <AMOUNT_CURRENT> (1,895)
32.5

$$$$
WAY-273179
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.3500   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -1.1875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625    0.0583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -3.3417    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  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 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  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 11  1  0  0  0  0
 18 12  2  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 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
  9  7  2  0  0  0  0
  5  6  1  0  0  0  0
 25 23  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,896)
1896

>  <Formula> (1,896)
C18H13ClN4OS

>  <MolWeight> (1,896)
368.84002

>  <PCAT_CMPD_ID> (1,896)
WAY-273179

>  <CNC_ID> (1,896)
359340458

>  <transfer_container_id> (1,896)
PTN000000068

>  <COMPOUND_NUMBER> (1,896)
WAY-273179

>  <BAR_CODE_NO> (1,896)
391123

>  <LOCATION_CODE> (1,896)
PTNCS

>  <AMOUNT_CURRENT> (1,896)
32.5

$$$$
WAY-273386
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.7333    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    2.9333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0833    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    1.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    3.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    5.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    3.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    1.4333    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
    0.8625    1.8083    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
   -0.4375    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6250    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2792    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2792    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  7  1  0  0  0  0
  6 10  2  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  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15 23  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  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 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 14  2  0  0  0  0
 25 14  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 29  2  0  0  0  0
  8  6  1  0  0  0  0
  5  4  1  0  0  0  0
 20 11  1  0  0  0  0
 15 22  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,897)
1897

>  <Formula> (1,897)
C23H20N4O2S

>  <MolWeight> (1,897)
416.4955

>  <PCAT_CMPD_ID> (1,897)
WAY-273386

>  <CNC_ID> (1,897)
359340655

>  <transfer_container_id> (1,897)
PTN000000068

>  <COMPOUND_NUMBER> (1,897)
WAY-273386

>  <BAR_CODE_NO> (1,897)
391330

>  <LOCATION_CODE> (1,897)
PTNCS

>  <AMOUNT_CURRENT> (1,897)
32.5

$$$$
WAY-273428
csChFnd80/11182011152D

 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
   -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
   -1.1958    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  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 15  2  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
  8  5  1  0  0  0  0
 10  6  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,898)
1898

>  <Formula> (1,898)
C12H11N5

>  <MolWeight> (1,898)
225.24924

>  <PCAT_CMPD_ID> (1,898)
WAY-273428

>  <CNC_ID> (1,898)
359340697

>  <transfer_container_id> (1,898)
PTN000000068

>  <COMPOUND_NUMBER> (1,898)
WAY-273428

>  <BAR_CODE_NO> (1,898)
391372

>  <LOCATION_CODE> (1,898)
PTNCS

>  <AMOUNT_CURRENT> (1,898)
30.5

$$$$
WAY-273441
csChFnd80/11182011152D

 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
   -3.7958    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
   -3.7958    3.6875    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
   -2.4375    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
   -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    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    3.6875    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
   -1.8583    4.8125    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
   -1.8583    4.0625    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
   -1.2000    5.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7458    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  2  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  2  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 11  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  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 19  1  0  0  0  0
 22 20  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,899)
1899

>  <Formula> (1,899)
C16H19N5O

>  <MolWeight> (1,899)
297.35496

>  <PCAT_CMPD_ID> (1,899)
WAY-273441

>  <CNC_ID> (1,899)
359340710

>  <transfer_container_id> (1,899)
PTN000000068

>  <COMPOUND_NUMBER> (1,899)
WAY-273441

>  <BAR_CODE_NO> (1,899)
391387

>  <LOCATION_CODE> (1,899)
PTNCS

>  <AMOUNT_CURRENT> (1,899)
32.5

$$$$
WAY-273500
csChFnd80/11182011152D

 19 21  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
  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
  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> (1,900)
1900

>  <Formula> (1,900)
C14H14N2OS2

>  <MolWeight> (1,900)
290.40376

>  <PCAT_CMPD_ID> (1,900)
WAY-273500

>  <CNC_ID> (1,900)
359340769

>  <transfer_container_id> (1,900)
PTN000000068

>  <COMPOUND_NUMBER> (1,900)
WAY-273500

>  <BAR_CODE_NO> (1,900)
391445

>  <LOCATION_CODE> (1,900)
PTNCS

>  <AMOUNT_CURRENT> (1,900)
32.5

$$$$
WAY-273587
csChFnd80/11182011152D

 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 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  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> (1,901)
1901

>  <Formula> (1,901)
C19H16FN3O3S2

>  <MolWeight> (1,901)
417.4770432

>  <PCAT_CMPD_ID> (1,901)
WAY-273587

>  <CNC_ID> (1,901)
359340856

>  <transfer_container_id> (1,901)
PTN000000068

>  <COMPOUND_NUMBER> (1,901)
WAY-273587

>  <BAR_CODE_NO> (1,901)
391532

>  <LOCATION_CODE> (1,901)
PTNCS

>  <AMOUNT_CURRENT> (1,901)
32.5

$$$$
WAY-273712
csChFnd80/11182011152D

 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
   -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
   -0.5208    2.8583    0.0000 S   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
   -1.4833    3.7208    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
   -1.0375    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    4.4167    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
   -1.9833    3.1583    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
   -0.2500    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    3.3083    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
  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  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  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15  4  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 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
  8 10  2  0  0  0  0
  3  5  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,902)
1902

>  <Formula> (1,902)
C15H15N3O3S

>  <MolWeight> (1,902)
317.3629

>  <PCAT_CMPD_ID> (1,902)
WAY-273712

>  <CNC_ID> (1,902)
359340981

>  <transfer_container_id> (1,902)
PTN000000068

>  <COMPOUND_NUMBER> (1,902)
WAY-273712

>  <BAR_CODE_NO> (1,902)
391657

>  <LOCATION_CODE> (1,902)
PTNCS

>  <AMOUNT_CURRENT> (1,902)
32.5

$$$$
WAY-273850
csChFnd80/11182011152D

 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
   -0.0500    1.4333    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
   -0.2500    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
    0.4500    1.9958    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
   -0.7500    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    6.2500    0.0000 O   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
    0.1792    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    2.4083    0.0000 Cl  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
    0.0042    5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    4.9792    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
    0.9167    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    6.0917    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
   -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
  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  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 27  1  0  0  0  0
 19 14  2  0  0  0  0
 20  9  2  0  0  0  0
 21 19  1  0  0  0  0
 22  8  1  0  0  0  0
 23 13  1  0  0  0  0
 24 13  1  0  0  0  0
 25 10  1  0  0  0  0
 26 20  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  2  0  0  0  0
 30 22  2  0  0  0  0
 31 25  2  0  0  0  0
  8 10  2  0  0  0  0
  6  5  2  0  0  0  0
 31 30  1  0  0  0  0
 29 19  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,903)
1903

>  <Formula> (1,903)
C22H19ClN4O3S

>  <MolWeight> (1,903)
454.92926

>  <PCAT_CMPD_ID> (1,903)
WAY-273850

>  <CNC_ID> (1,903)
359341119

>  <transfer_container_id> (1,903)
PTN000000068

>  <COMPOUND_NUMBER> (1,903)
WAY-273850

>  <BAR_CODE_NO> (1,903)
391795

>  <LOCATION_CODE> (1,903)
PTNCS

>  <AMOUNT_CURRENT> (1,903)
32.5

$$$$
WAY-273936
csChFnd80/11182011152D

 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
   -0.0333    2.5208    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
   -0.7458    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.0250    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
    1.2167    2.8083    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
    1.3917    2.0833    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
   -3.2458    0.8625    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
   -3.2333    0.1083    0.0000 C   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
    2.1042    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    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  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  7  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 10  1  0  0  0  0
 13  4  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 11  1  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 16  2  0  0  0  0
 22 15  1  0  0  0  0
 23 21  1  0  0  0  0
  4  5  2  0  0  0  0
 19 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,904)
1904

>  <Formula> (1,904)
C19H21N3O

>  <MolWeight> (1,904)
307.38954

>  <PCAT_CMPD_ID> (1,904)
WAY-273936

>  <CNC_ID> (1,904)
359341200

>  <transfer_container_id> (1,904)
PTN000000068

>  <COMPOUND_NUMBER> (1,904)
WAY-273936

>  <BAR_CODE_NO> (1,904)
391881

>  <LOCATION_CODE> (1,904)
PTNCS

>  <AMOUNT_CURRENT> (1,904)
32.5

$$$$
WAY-273958
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.4358    6.5029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0360    5.2298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8810    5.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132    6.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3604    5.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4830    6.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0950    6.0433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2598    6.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8664    6.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6734    7.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0694    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884    5.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2946    7.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8966    7.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6615    6.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2801    8.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0570    7.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5515    5.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2544    7.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0660    7.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2482    6.9395    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  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12  4  2  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  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  6  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
  6  3  1  0  0  0  0
 22 19  2  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,905)
1905

>  <Formula> (1,905)
C17H17N3O3

>  <MolWeight> (1,905)
311.33518

>  <PCAT_CMPD_ID> (1,905)
WAY-273958

>  <CNC_ID> (1,905)
359341222

>  <transfer_container_id> (1,905)
PTN000000068

>  <COMPOUND_NUMBER> (1,905)
WAY-273958

>  <BAR_CODE_NO> (1,905)
391903

>  <LOCATION_CODE> (1,905)
PTNCS

>  <AMOUNT_CURRENT> (1,905)
32.5

$$$$
WAY-273961
csChFnd80/11182011152D

 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
   -1.2958    2.2208    0.0000 C   0  0  3  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
    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
    1.2167    2.8083    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
    1.3875    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    3.3208    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
   -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
    2.4750    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    2.3708    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  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  3  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  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  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
  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> (1,906)
1906

>  <Formula> (1,906)
C19H21N3O

>  <MolWeight> (1,906)
307.38954

>  <PCAT_CMPD_ID> (1,906)
WAY-273961

>  <CNC_ID> (1,906)
359341225

>  <transfer_container_id> (1,906)
PTN000000068

>  <COMPOUND_NUMBER> (1,906)
WAY-273961

>  <BAR_CODE_NO> (1,906)
391906

>  <LOCATION_CODE> (1,906)
PTNCS

>  <AMOUNT_CURRENT> (1,906)
32.5

$$$$
WAY-273998
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.1014    0.6479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3014   -3.1563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3264   -1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3264   -1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5639    0.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3403   -0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1195    1.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820   -2.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9903    0.2604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4695    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2639   -5.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7070    4.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9805   -2.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3570    5.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5070    6.2687    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7389   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2264    2.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903   -1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555   -0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3889   -6.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3889   -0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6389    1.9562    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  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9 20  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 15  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 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  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 24  1  0  0  0  0
 24 19  2  0  0  0  0
  4  2  1  0  0  0  0
 23 18  2  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,907)
1907

>  <Formula> (1,907)
C19H20FN3O

>  <MolWeight> (1,907)
325.3800032

>  <PCAT_CMPD_ID> (1,907)
WAY-273998

>  <CNC_ID> (1,907)
359341262

>  <transfer_container_id> (1,907)
PTN000000068

>  <COMPOUND_NUMBER> (1,907)
WAY-273998

>  <BAR_CODE_NO> (1,907)
391943

>  <LOCATION_CODE> (1,907)
PTNCS

>  <AMOUNT_CURRENT> (1,907)
32.5

$$$$
WAY-274034
csChFnd80/11182011152D

 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
   -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
   -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
   -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
   -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
  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  1  0  0  0  0
 10  3  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 12  1  0  0  0  0
 15 13  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  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24 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> (1,908)
1908

>  <Formula> (1,908)
C16H14FNO4S2

>  <MolWeight> (1,908)
367.4150632

>  <PCAT_CMPD_ID> (1,908)
WAY-274034

>  <CNC_ID> (1,908)
359341298

>  <transfer_container_id> (1,908)
PTN000000068

>  <COMPOUND_NUMBER> (1,908)
WAY-274034

>  <BAR_CODE_NO> (1,908)
391979

>  <LOCATION_CODE> (1,908)
PTNCS

>  <AMOUNT_CURRENT> (1,908)
32.5

$$$$
WAY-274138
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.8125    2.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.3458    0.0000 C   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
   -2.6125    1.1875    0.0000 N   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
    0.5542    4.0542    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
    0.9875    4.6667    0.0000 C   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
   -0.3083    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    4.6042    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
    0.8750    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    5.3542    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
   -3.9583    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    5.2167    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  2  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  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  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  7  2  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  2  0  0  0  0
 21 10  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
  6 10  1  0  0  0  0
 21 24  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,909)
1909

>  <Formula> (1,909)
C18H18N2O3S

>  <MolWeight> (1,909)
342.41212

>  <PCAT_CMPD_ID> (1,909)
WAY-274138

>  <CNC_ID> (1,909)
359341401

>  <transfer_container_id> (1,909)
PTN000000068

>  <COMPOUND_NUMBER> (1,909)
WAY-274138

>  <BAR_CODE_NO> (1,909)
392083

>  <LOCATION_CODE> (1,909)
PTNCS

>  <AMOUNT_CURRENT> (1,909)
32.5

$$$$
WAY-274139
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.8125    2.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.3458    0.0000 C   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
   -2.6125    1.1875    0.0000 N   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
    0.5542    4.0542    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
   -3.2250    1.6250    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
    0.9875    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    3.3750    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
    1.7375    4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    3.9250    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
   -3.9583    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.6125    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  2  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  9  1  0  0  0  0
  9  7  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  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  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 13  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
  6 10  1  0  0  0  0
 20 24  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,910)
1910

>  <Formula> (1,910)
C18H18N2O3S

>  <MolWeight> (1,910)
342.41212

>  <PCAT_CMPD_ID> (1,910)
WAY-274139

>  <CNC_ID> (1,910)
359341402

>  <transfer_container_id> (1,910)
PTN000000068

>  <COMPOUND_NUMBER> (1,910)
WAY-274139

>  <BAR_CODE_NO> (1,910)
392084

>  <LOCATION_CODE> (1,910)
PTNCS

>  <AMOUNT_CURRENT> (1,910)
32.5

$$$$
WAY-274141
csChFnd80/11182011152D

 20 22  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
   -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
   -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 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
    0.9917    4.6792    0.0000 F   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
    0.4417    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.8333    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
    0.8750    3.3750    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  2  2  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 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  2  0  0  0  0
 17  7  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
  5  7  1  0  0  0  0
 20 17  2  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,911)
1911

>  <Formula> (1,911)
C15H12FNO2S

>  <MolWeight> (1,911)
289.3246832

>  <PCAT_CMPD_ID> (1,911)
WAY-274141

>  <CNC_ID> (1,911)
359341404

>  <transfer_container_id> (1,911)
PTN000000068

>  <COMPOUND_NUMBER> (1,911)
WAY-274141

>  <BAR_CODE_NO> (1,911)
392086

>  <LOCATION_CODE> (1,911)
PTNCS

>  <AMOUNT_CURRENT> (1,911)
32.5

$$$$
WAY-277108
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7125    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500    1.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    2.6958    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
    0.5167    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    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  6  1  0  0  0  0
  5  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  3  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  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13  1  2  0  0  0  0
 14  3  2  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 11  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 16  1  0  0  0  0
 23 18  2  0  0  0  0
 24 23  1  0  0  0  0
 12  5  1  0  0  0  0
  8  9  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,912)
1912

>  <Formula> (1,912)
C16H15ClN4O2S

>  <MolWeight> (1,912)
362.8339

>  <PCAT_CMPD_ID> (1,912)
WAY-277108

>  <CNC_ID> (1,912)
359341655

>  <transfer_container_id> (1,912)
PTN000000068

>  <COMPOUND_NUMBER> (1,912)
WAY-277108

>  <BAR_CODE_NO> (1,912)
389807

>  <LOCATION_CODE> (1,912)
PTNCS

>  <AMOUNT_CURRENT> (1,912)
32.5

$$$$
WAY-277254
csChFnd80/11182011152D

 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
   -1.7208    3.8000    0.0000 C   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
   -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
   -1.0000    4.2042    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
   -1.0083    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    5.0292    0.0000 C   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
   -1.7250    5.4542    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
   -0.2875    5.4500    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  1  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  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 10  1  0  0  0  0
 15  6  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 16  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
  5  4  1  0  0  0  0
 14 19  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,913)
1913

>  <Formula> (1,913)
C18H18N4OS

>  <MolWeight> (1,913)
338.42672

>  <PCAT_CMPD_ID> (1,913)
WAY-277254

>  <CNC_ID> (1,913)
359341799

>  <transfer_container_id> (1,913)
PTN000000068

>  <COMPOUND_NUMBER> (1,913)
WAY-277254

>  <BAR_CODE_NO> (1,913)
389954

>  <LOCATION_CODE> (1,913)
PTNCS

>  <AMOUNT_CURRENT> (1,913)
29.5

$$$$
WAY-277328
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.4583    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    2.4875    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
   -1.8625    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8083    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6375   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    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  2  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  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  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  1  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 15  1  0  0  0  0
 19 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
  4  5  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,914)
1914

>  <Formula> (1,914)
C14H18N4O2S

>  <MolWeight> (1,914)
306.38332

>  <PCAT_CMPD_ID> (1,914)
WAY-277328

>  <CNC_ID> (1,914)
359341873

>  <transfer_container_id> (1,914)
PTN000000068

>  <COMPOUND_NUMBER> (1,914)
WAY-277328

>  <BAR_CODE_NO> (1,914)
390028

>  <LOCATION_CODE> (1,914)
PTNCS

>  <AMOUNT_CURRENT> (1,914)
32.5

$$$$
WAY-277344
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -3.2458    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    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
   -3.5000    1.7083    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    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.4375    0.0000 S   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
    0.2250    4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    6.2667    0.0000 C   0  0  0  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  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11 12  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14 21  1  0  0  0  0
 15 23  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  2  0  0  0  0
 20  9  2  0  0  0  0
 21  4  1  0  0  0  0
 22 10  2  0  0  0  0
 23 22  1  0  0  0  0
 24  6  1  0  0  0  0
 25 13  1  0  0  0  0
 26 25  2  0  0  0  0
 27  9  1  0  0  0  0
 28 26  1  0  0  0  0
  3  6  2  0  0  0  0
 24 14  1  0  0  0  0
 20 26  1  0  0  0  0
 11 15  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,915)
1915

>  <Formula> (1,915)
C21H19N3O3S

>  <MolWeight> (1,915)
393.45886

>  <PCAT_CMPD_ID> (1,915)
WAY-277344

>  <CNC_ID> (1,915)
359341889

>  <transfer_container_id> (1,915)
PTN000000068

>  <COMPOUND_NUMBER> (1,915)
WAY-277344

>  <BAR_CODE_NO> (1,915)
390044

>  <LOCATION_CODE> (1,915)
PTNCS

>  <AMOUNT_CURRENT> (1,915)
29.2

$$$$
WAY-277345
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.7167   -0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -3.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.3292    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
    5.0167   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.7583    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
    3.1500    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    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  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  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10 21  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13 23  1  0  0  0  0
 14 25  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22  9  2  0  0  0  0
 23  5  1  0  0  0  0
 24 16  1  0  0  0  0
 25 28  2  0  0  0  0
 26 12  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29  8  1  0  0  0  0
 30 27  1  0  0  0  0
  4  5  1  0  0  0  0
 13 20  1  0  0  0  0
 19 27  1  0  0  0  0
 10 14  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,916)
1916

>  <Formula> (1,916)
C23H21N3O3S

>  <MolWeight> (1,916)
419.49614

>  <PCAT_CMPD_ID> (1,916)
WAY-277345

>  <CNC_ID> (1,916)
359341890

>  <transfer_container_id> (1,916)
PTN000000068

>  <COMPOUND_NUMBER> (1,916)
WAY-277345

>  <BAR_CODE_NO> (1,916)
390045

>  <LOCATION_CODE> (1,916)
PTNCS

>  <AMOUNT_CURRENT> (1,916)
32.5

$$$$
WAY-277372
csChFnd80/11182011152D

 32 36  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
   -2.5958    1.9083    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
   -2.5583    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
   -0.0083    1.9333    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
   -0.7458    4.8792    0.0000 N   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
   -1.3625   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.6167    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
   -2.1583   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.7542    0.0000 O   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
   -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
   -0.0208    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -3.1417    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
   -4.5833    2.7833    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  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  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11 19  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  2  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 22  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 28  1  0  0  0  0
 26 13  1  0  0  0  0
 27 13  2  0  0  0  0
 28 24  1  0  0  0  0
 29 23  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
  4  5  1  0  0  0  0
 12  8  2  0  0  0  0
 18 11  1  0  0  0  0
 32 31  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,917)
1917

>  <Formula> (1,917)
C25H27N5O2

>  <MolWeight> (1,917)
429.51418

>  <PCAT_CMPD_ID> (1,917)
WAY-277372

>  <CNC_ID> (1,917)
359341917

>  <transfer_container_id> (1,917)
PTN000000068

>  <COMPOUND_NUMBER> (1,917)
WAY-277372

>  <BAR_CODE_NO> (1,917)
390072

>  <LOCATION_CODE> (1,917)
PTNCS

>  <AMOUNT_CURRENT> (1,917)
32.5

$$$$
WAY-277378
csChFnd80/11182011152D

 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
   -2.5958    1.9083    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
   -2.5583    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
   -0.0083    1.9333    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
   -0.7458    4.8792    0.0000 N   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
   -1.3708   -0.6875    0.0000 C   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
   -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
   -2.1583   -1.9167    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
   -2.8708   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.7542    0.0000 F   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
   -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
   -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  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  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11 19  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  2  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 22  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 28  1  0  0  0  0
 26 13  1  0  0  0  0
 27 13  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
  4  5  1  0  0  0  0
 12  8  2  0  0  0  0
 18 11  1  0  0  0  0
 31 29  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,918)
1918

>  <Formula> (1,918)
C24H24FN5O

>  <MolWeight> (1,918)
417.4786632

>  <PCAT_CMPD_ID> (1,918)
WAY-277378

>  <CNC_ID> (1,918)
359341923

>  <transfer_container_id> (1,918)
PTN000000068

>  <COMPOUND_NUMBER> (1,918)
WAY-277378

>  <BAR_CODE_NO> (1,918)
390078

>  <LOCATION_CODE> (1,918)
PTNCS

>  <AMOUNT_CURRENT> (1,918)
32.5

$$$$
WAY-277576
csChFnd80/11182011152D

 31 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
    1.5125    0.5833    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
    0.7542    1.0458    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
    2.2542    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    1.3250    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
   -3.2333   -0.3542    0.0000 O   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
   -1.4833    3.2375    0.0000 O   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
    0.7667    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.0708    0.0000 C   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
    2.2292   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.5250    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
    2.9792   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.0583    0.0000 C   0  0  0  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 12  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  2  1  0  0  0  0
 12 22  1  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16  7  2  0  0  0  0
 17  6  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  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 19  2  0  0  0  0
 24 19  1  0  0  0  0
 25 14  1  0  0  0  0
 26 14  1  0  0  0  0
 27 13  1  0  0  0  0
 28 13  1  0  0  0  0
 29 13  1  0  0  0  0
 30 25  1  0  0  0  0
 31 26  1  0  0  0  0
  4  5  2  0  0  0  0
  6  9  1  0  0  0  0
 12 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,919)
1919

>  <Formula> (1,919)
C20H28N4O5S2

>  <MolWeight> (1,919)
468.59012

>  <PCAT_CMPD_ID> (1,919)
WAY-277576

>  <CNC_ID> (1,919)
359342121

>  <transfer_container_id> (1,919)
PTN000000068

>  <COMPOUND_NUMBER> (1,919)
WAY-277576

>  <BAR_CODE_NO> (1,919)
390276

>  <LOCATION_CODE> (1,919)
PTNCS

>  <AMOUNT_CURRENT> (1,919)
32.5

$$$$
WAY-277844
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5621    0.3364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621   -0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663   -0.9011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788    0.3364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663    0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587   -0.9094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2796   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8587   -0.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5796    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2796    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5587   -0.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9796   -0.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4121    0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    1.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6921   -0.5136    0.0000 C   0  0  0  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  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  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 11  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
  6  3  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,920)
1920

>  <Formula> (1,920)
C14H20N2OS2

>  <MolWeight> (1,920)
296.4514

>  <PCAT_CMPD_ID> (1,920)
WAY-277844

>  <CNC_ID> (1,920)
359342389

>  <transfer_container_id> (1,920)
PTN000000068

>  <COMPOUND_NUMBER> (1,920)
WAY-277844

>  <BAR_CODE_NO> (1,920)
390544

>  <LOCATION_CODE> (1,920)
PTNCS

>  <AMOUNT_CURRENT> (1,920)
32.5

$$$$
WAY-277852
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8118   -0.5479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8118   -1.3729    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410   -0.0687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785   -0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3993    0.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    0.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090    1.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965    1.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0882    1.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243   -1.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0257   -1.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8285   -2.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0590    2.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2465    0.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -0.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2382    2.8105    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2215    1.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160   -2.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535   -2.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5465    3.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3715    3.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660   -3.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410   -3.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8618   -3.8479    0.0000 C   0  0  0  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  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  1  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 13  1  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 17  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
  5  6  1  0  0  0  0
 25 24  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,921)
1921

>  <Formula> (1,921)
C16H12BrN3O4S

>  <MolWeight> (1,921)
422.25318

>  <PCAT_CMPD_ID> (1,921)
WAY-277852

>  <CNC_ID> (1,921)
359342397

>  <transfer_container_id> (1,921)
PTN000000068

>  <COMPOUND_NUMBER> (1,921)
WAY-277852

>  <BAR_CODE_NO> (1,921)
390552

>  <LOCATION_CODE> (1,921)
PTNCS

>  <AMOUNT_CURRENT> (1,921)
32.5

$$$$
WAY-277865
csChFnd80/11182011152D

 29 31  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
   -4.5833    3.8000    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
   -4.2458    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.4625    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
   -4.7333    5.2167    0.0000 C   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
   -1.6458   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    4.6417    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
   -1.6333   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    5.9667    0.0000 O   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    5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833    6.6542    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  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  9  1  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  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16  4  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 10  1  0  0  0  0
 20  7  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 15  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  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
  6  5  1  0  0  0  0
 21 23  1  0  0  0  0
 15 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,922)
1922

>  <Formula> (1,922)
C19H19N3O6S

>  <MolWeight> (1,922)
417.43566

>  <PCAT_CMPD_ID> (1,922)
WAY-277865

>  <CNC_ID> (1,922)
359342410

>  <transfer_container_id> (1,922)
PTN000000068

>  <COMPOUND_NUMBER> (1,922)
WAY-277865

>  <BAR_CODE_NO> (1,922)
390565

>  <LOCATION_CODE> (1,922)
PTNCS

>  <AMOUNT_CURRENT> (1,922)
32.5

$$$$
WAY-277879
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.9458    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -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  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  3  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  1  1  0  0  0  0
 12  7  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 15  1  0  0  0  0
 17 16  1  0  0  0  0
  8 13  1  0  0  0  0
  6  3  2  0  0  0  0
M  END
>  <Mol_ID> (1,923)
1923

>  <Formula> (1,923)
C11H15N3O2S

>  <MolWeight> (1,923)
253.3207

>  <PCAT_CMPD_ID> (1,923)
WAY-277879

>  <CNC_ID> (1,923)
359342424

>  <transfer_container_id> (1,923)
PTN000000068

>  <COMPOUND_NUMBER> (1,923)
WAY-277879

>  <BAR_CODE_NO> (1,923)
390579

>  <LOCATION_CODE> (1,923)
PTNCS

>  <AMOUNT_CURRENT> (1,923)
32.5

$$$$
WAY-277886
csChFnd80/11182011152D

 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
    0.3000    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
    0.8542    1.4833    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
   -4.5833    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    2.4083    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  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 14  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 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 15  9  1  0  0  0  0
  2  7  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,924)
1924

>  <Formula> (1,924)
C14H13N3O3S

>  <MolWeight> (1,924)
303.33632

>  <PCAT_CMPD_ID> (1,924)
WAY-277886

>  <CNC_ID> (1,924)
359342431

>  <transfer_container_id> (1,924)
PTN000000068

>  <COMPOUND_NUMBER> (1,924)
WAY-277886

>  <BAR_CODE_NO> (1,924)
390590

>  <LOCATION_CODE> (1,924)
PTNCS

>  <AMOUNT_CURRENT> (1,924)
32.5

$$$$
WAY-277930
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.0975    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389   -0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4389    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906   -1.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7285   -1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389    2.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5630    1.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7768   -2.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -2.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    0.2359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370    2.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975    2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9128   -1.4882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6665   -2.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3715    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9197   -0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9197    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0059   -0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0059    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5197    0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6094    0.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1266    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  7 14  2  0  0  0  0
  8 15  2  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
 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
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 12 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,925)
1925

>  <Formula> (1,925)
C21H15NO3

>  <MolWeight> (1,925)
329.3487

>  <PCAT_CMPD_ID> (1,925)
WAY-277930

>  <CNC_ID> (1,925)
359342475

>  <transfer_container_id> (1,925)
PTN000000068

>  <COMPOUND_NUMBER> (1,925)
WAY-277930

>  <BAR_CODE_NO> (1,925)
390635

>  <LOCATION_CODE> (1,925)
PTNCS

>  <AMOUNT_CURRENT> (1,925)
32.5

$$$$
WAY-278136
csChFnd80/11182011152D

 28 31  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
   -2.0833    0.3458    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
   -2.2750    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
   -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
    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
   -1.7208   -1.2417    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
   -1.1333   -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
   -4.5708   -0.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -2.0375    0.0000 F   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  4  1  0  0  0  0
 16  2  2  0  0  0  0
 17  9  2  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 10  1  0  0  0  0
 22 14  2  0  0  0  0
 23 26  2  0  0  0  0
 24 22  1  0  0  0  0
 25 19  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
  7  6  1  0  0  0  0
 23 25  1  0  0  0  0
 13 10  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,926)
1926

>  <Formula> (1,926)
C20H13BrClFN2O3

>  <MolWeight> (1,926)
463.6842232

>  <PCAT_CMPD_ID> (1,926)
WAY-278136

>  <CNC_ID> (1,926)
359342681

>  <transfer_container_id> (1,926)
PTN000000068

>  <COMPOUND_NUMBER> (1,926)
WAY-278136

>  <BAR_CODE_NO> (1,926)
390841

>  <LOCATION_CODE> (1,926)
PTNCS

>  <AMOUNT_CURRENT> (1,926)
32.5

$$$$
WAY-335291
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.5667   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -4.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.1917    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
    7.0042   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7125   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -4.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -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  1  1  0  0  0  0
  4 12  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  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10 21  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  2  2  0  0  0  0
 16  7  2  0  0  0  0
 17  3  2  0  0  0  0
 18 10  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 19  2  0  0  0  0
 23 10  1  0  0  0  0
 24  7  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
  6  8  1  0  0  0  0
 17 22  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (1,927)
1927

>  <Formula> (1,927)
C19H23NO6

>  <MolWeight> (1,927)
361.38902

>  <PCAT_CMPD_ID> (1,927)
WAY-335291

>  <CNC_ID> (1,927)
359344552

>  <transfer_container_id> (1,927)
PTN000000068

>  <COMPOUND_NUMBER> (1,927)
WAY-335291

>  <BAR_CODE_NO> (1,927)
310292

>  <LOCATION_CODE> (1,927)
PTNCS

>  <AMOUNT_CURRENT> (1,927)
32.5

$$$$
WAY-335293
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.5542   -3.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -4.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -2.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -4.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -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  9  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 14  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  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  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  9 13  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,928)
1928

>  <Formula> (1,928)
C12H22N2O4S

>  <MolWeight> (1,928)
290.37908

>  <PCAT_CMPD_ID> (1,928)
WAY-335293

>  <CNC_ID> (1,928)
359344554

>  <transfer_container_id> (1,928)
PTN000000068

>  <COMPOUND_NUMBER> (1,928)
WAY-335293

>  <BAR_CODE_NO> (1,928)
310294

>  <LOCATION_CODE> (1,928)
PTNCS

>  <AMOUNT_CURRENT> (1,928)
32.5

$$$$
WAY-335296
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.6667   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.4333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    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  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  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  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  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16 12  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
  8  6  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,929)
1929

>  <Formula> (1,929)
C15H12ClNO2

>  <MolWeight> (1,929)
273.71428

>  <PCAT_CMPD_ID> (1,929)
WAY-335296

>  <CNC_ID> (1,929)
359344557

>  <transfer_container_id> (1,929)
PTN000000068

>  <COMPOUND_NUMBER> (1,929)
WAY-335296

>  <BAR_CODE_NO> (1,929)
310297

>  <LOCATION_CODE> (1,929)
PTNCS

>  <AMOUNT_CURRENT> (1,929)
32.5

$$$$
WAY-335298
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.0292   -1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -2.9500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0292   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -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  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  2  0  0  0  0
  9  3  2  0  0  0  0
 10  5  2  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 13  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  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 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
  4  6  1  0  0  0  0
 10 14  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,930)
1930

>  <Formula> (1,930)
C19H21NO2

>  <MolWeight> (1,930)
295.37554

>  <PCAT_CMPD_ID> (1,930)
WAY-335298

>  <CNC_ID> (1,930)
359344559

>  <transfer_container_id> (1,930)
PTN000000068

>  <COMPOUND_NUMBER> (1,930)
WAY-335298

>  <BAR_CODE_NO> (1,930)
310299

>  <LOCATION_CODE> (1,930)
PTNCS

>  <AMOUNT_CURRENT> (1,930)
32.5

$$$$
WAY-335322
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.3500   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.9375    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.2167   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -9.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    3.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875    3.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -9.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500  -12.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042  -14.1250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.2083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8875   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750  -14.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667  -10.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917  -12.8792    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  2  0  0  0  0
  6  4  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  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12  1  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  2  0  0  0  0
 15  4  2  0  0  0  0
 16  7  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  2  0  0  0  0
 19 12  1  0  0  0  0
 20 25  2  0  0  0  0
 21 18  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 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 13  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
  5  2  1  0  0  0  0
 26 20  1  0  0  0  0
 11 17  2  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,931)
1931

>  <Formula> (1,931)
C22H16ClFN2O3S

>  <MolWeight> (1,931)
442.8904432

>  <PCAT_CMPD_ID> (1,931)
WAY-335322

>  <CNC_ID> (1,931)
359344583

>  <transfer_container_id> (1,931)
PTN000000068

>  <COMPOUND_NUMBER> (1,931)
WAY-335322

>  <BAR_CODE_NO> (1,931)
310323

>  <LOCATION_CODE> (1,931)
PTNCS

>  <AMOUNT_CURRENT> (1,931)
32.5

$$$$
WAY-335371
csChFnd80/11182011152D

 32 34  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    4.2292    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    3.8333    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
   -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
   -2.4458    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    4.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    3.8583    0.0000 C   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
   -1.7250    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
   -0.9833    2.9958    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
   -3.1625    5.0292    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
    1.8500    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    4.2625    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
    1.8500    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    5.4625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    4.2667    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
   -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 17  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  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 21  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  2  0  0  0  0
 19  7  2  0  0  0  0
 20  5  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 12  2  0  0  0  0
 25 12  1  0  0  0  0
 26  7  1  0  0  0  0
 27 22  1  0  0  0  0
 28 15  1  0  0  0  0
 29 23  1  0  0  0  0
 30 22  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
 16  6  1  0  0  0  0
  2 15  2  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,932)
1932

>  <Formula> (1,932)
C22H26FN3O5S

>  <MolWeight> (1,932)
463.5223432

>  <PCAT_CMPD_ID> (1,932)
WAY-335371

>  <CNC_ID> (1,932)
359344632

>  <transfer_container_id> (1,932)
PTN000000068

>  <COMPOUND_NUMBER> (1,932)
WAY-335371

>  <BAR_CODE_NO> (1,932)
310372

>  <LOCATION_CODE> (1,932)
PTNCS

>  <AMOUNT_CURRENT> (1,932)
32.5

$$$$
WAY-335429
csChFnd80/11182011152D

 24 26  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
    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
    5.8125   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417    0.2833    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
    7.6417   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792    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  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  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  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
 20 18  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
  9  7  2  0  0  0  0
  3  6  2  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,933)
1933

>  <Formula> (1,933)
C16H15ClN4O3

>  <MolWeight> (1,933)
346.7683

>  <PCAT_CMPD_ID> (1,933)
WAY-335429

>  <CNC_ID> (1,933)
359344690

>  <transfer_container_id> (1,933)
PTN000000068

>  <COMPOUND_NUMBER> (1,933)
WAY-335429

>  <BAR_CODE_NO> (1,933)
310430

>  <LOCATION_CODE> (1,933)
PTNCS

>  <AMOUNT_CURRENT> (1,933)
32.5

$$$$
WAY-335432
csChFnd80/11182011152D

 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
    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
    5.8125   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292    1.7000    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
    7.4417    2.4208    0.0000 F   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
    6.2125    1.6958    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
    5.8042    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417    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  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 21  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 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
  9  7  2  0  0  0  0
  3  6  2  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,934)
1934

>  <Formula> (1,934)
C15H12ClFN4O2

>  <MolWeight> (1,934)
334.7327832

>  <PCAT_CMPD_ID> (1,934)
WAY-335432

>  <CNC_ID> (1,934)
359344693

>  <transfer_container_id> (1,934)
PTN000000068

>  <COMPOUND_NUMBER> (1,934)
WAY-335432

>  <BAR_CODE_NO> (1,934)
310433

>  <LOCATION_CODE> (1,934)
PTNCS

>  <AMOUNT_CURRENT> (1,934)
32.5

$$$$
WAY-335548
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.3375   -5.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -4.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -8.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -4.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -6.0042    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
    2.0417   -7.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -8.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -6.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  2  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 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  2  0  0  0  0
 14  6  2  0  0  0  0
 15 17  2  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18  1  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  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
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
  5  8  1  0  0  0  0
  7 15  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,935)
1935

>  <Formula> (1,935)
C19H20N2O3S

>  <MolWeight> (1,935)
356.4387

>  <PCAT_CMPD_ID> (1,935)
WAY-335548

>  <CNC_ID> (1,935)
359344808

>  <transfer_container_id> (1,935)
PTN000000068

>  <COMPOUND_NUMBER> (1,935)
WAY-335548

>  <BAR_CODE_NO> (1,935)
310549

>  <LOCATION_CODE> (1,935)
PTNCS

>  <AMOUNT_CURRENT> (1,935)
32.5

$$$$
WAY-335612
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.4840    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -0.3296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    1.2244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4840   -0.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980    1.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    1.7524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130    1.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -1.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7280   -1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7430   -2.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2490    1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780    0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520   -2.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780    1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6700   -2.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.7024    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
  6  5  2  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 16  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  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 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 14 20  2  0  0  0  0
 21 18  1  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 21  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  3  5  1  0  0  0  0
 24 28  2  0  0  0  0
  9 17  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,936)
1936

>  <Formula> (1,936)
C23H25N3O2

>  <MolWeight> (1,936)
375.4635

>  <PCAT_CMPD_ID> (1,936)
WAY-335612

>  <CNC_ID> (1,936)
359344872

>  <transfer_container_id> (1,936)
PTN000000068

>  <COMPOUND_NUMBER> (1,936)
WAY-335612

>  <BAR_CODE_NO> (1,936)
310613

>  <LOCATION_CODE> (1,936)
PTNCS

>  <AMOUNT_CURRENT> (1,936)
32.5

$$$$
WAY-335622
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.9792   -5.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -5.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -5.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -6.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -6.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -4.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -6.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -8.8417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9250   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -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 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  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10 13  1  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  7  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  4  1  0  0  0  0
 23  4  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 10 12  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,937)
1937

>  <Formula> (1,937)
C17H26FN3O3S

>  <MolWeight> (1,937)
371.4700432

>  <PCAT_CMPD_ID> (1,937)
WAY-335622

>  <CNC_ID> (1,937)
359344882

>  <transfer_container_id> (1,937)
PTN000000068

>  <COMPOUND_NUMBER> (1,937)
WAY-335622

>  <BAR_CODE_NO> (1,937)
310623

>  <LOCATION_CODE> (1,937)
PTNCS

>  <AMOUNT_CURRENT> (1,937)
32.5

$$$$
WAY-335667
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.1042   -4.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -5.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -3.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -5.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -5.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625   -4.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0542   -5.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9917   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -6.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8125   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -3.5625    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  9  1  0  0  0  0
  5 10  2  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 16  2  0  0  0  0
 10  7  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  6  2  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 23  2  0  0  0  0
 19  3  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25  8  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 27 28  1  0  0  0  0
  5  9  1  0  0  0  0
  4  2  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,938)
1938

>  <Formula> (1,938)
C20H19FN2O4S

>  <MolWeight> (1,938)
402.4392632

>  <PCAT_CMPD_ID> (1,938)
WAY-335667

>  <CNC_ID> (1,938)
359344927

>  <transfer_container_id> (1,938)
PTN000000068

>  <COMPOUND_NUMBER> (1,938)
WAY-335667

>  <BAR_CODE_NO> (1,938)
310668

>  <LOCATION_CODE> (1,938)
PTNCS

>  <AMOUNT_CURRENT> (1,938)
32.5

$$$$
WAY-335708
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -0.1125   -1.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -3.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -2.7417    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  9  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  1  1  0  0  0  0
  9 23  2  0  0  0  0
 10 16  1  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 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 10  1  0  0  0  0
 21  6  2  0  0  0  0
 22  8  2  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25  3  1  0  0  0  0
 26 29  1  0  0  0  0
 27 24  2  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 31  1  0  0  0  0
 10 15  1  0  0  0  0
  9  5  1  0  0  0  0
  2  4  1  0  0  0  0
 32 33  1  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,939)
1939

>  <Formula> (1,939)
C24H26N2O7S

>  <MolWeight> (1,939)
486.53744

>  <PCAT_CMPD_ID> (1,939)
WAY-335708

>  <CNC_ID> (1,939)
359344968

>  <transfer_container_id> (1,939)
PTN000000068

>  <COMPOUND_NUMBER> (1,939)
WAY-335708

>  <BAR_CODE_NO> (1,939)
310709

>  <LOCATION_CODE> (1,939)
PTNCS

>  <AMOUNT_CURRENT> (1,939)
32.5

$$$$
WAY-335836
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.6542   -2.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -4.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -1.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2792   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4167   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -2.8792    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  5  1  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  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  1  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  1  0  0  0  0
 15 18  2  0  0  0  0
 16 15  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21  8  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 17 15  1  0  0  0  0
  2  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,940)
1940

>  <Formula> (1,940)
C17H20ClNO4S

>  <MolWeight> (1,940)
369.863

>  <PCAT_CMPD_ID> (1,940)
WAY-335836

>  <CNC_ID> (1,940)
359345095

>  <transfer_container_id> (1,940)
PTN000000068

>  <COMPOUND_NUMBER> (1,940)
WAY-335836

>  <BAR_CODE_NO> (1,940)
310837

>  <LOCATION_CODE> (1,940)
PTNCS

>  <AMOUNT_CURRENT> (1,940)
32.5

$$$$
WAY-335842
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.9750   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -2.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -3.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -2.2542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4500   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -2.5542    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  8  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  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 14  1  0  0  0  0
 12 11  2  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 11  1  0  0  0  0
 17 19  1  0  0  0  0
 18  3  1  0  0  0  0
 19 16  2  0  0  0  0
 20 12  1  0  0  0  0
 21 23  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24  7  2  0  0  0  0
 25  9  2  0  0  0  0
 26 20  1  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
  9  7  1  0  0  0  0
 21  5  1  0  0  0  0
 28 29  2  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,941)
1941

>  <Formula> (1,941)
C22H25N3O4

>  <MolWeight> (1,941)
395.4516

>  <PCAT_CMPD_ID> (1,941)
WAY-335842

>  <CNC_ID> (1,941)
359345101

>  <transfer_container_id> (1,941)
PTN000000068

>  <COMPOUND_NUMBER> (1,941)
WAY-335842

>  <BAR_CODE_NO> (1,941)
310843

>  <LOCATION_CODE> (1,941)
PTNCS

>  <AMOUNT_CURRENT> (1,941)
32.5

$$$$
WAY-335858
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.3042   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.3083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8750   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -3.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    1.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    2.5375    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  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18 10  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21 10  1  0  0  0  0
 22  3  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 27 15  1  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 11 13  1  0  0  0  0
 19 12  2  0  0  0  0
 23  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,942)
1942

>  <Formula> (1,942)
C22H30N2O5

>  <MolWeight> (1,942)
402.484

>  <PCAT_CMPD_ID> (1,942)
WAY-335858

>  <CNC_ID> (1,942)
359345117

>  <transfer_container_id> (1,942)
PTN000000068

>  <COMPOUND_NUMBER> (1,942)
WAY-335858

>  <BAR_CODE_NO> (1,942)
310859

>  <LOCATION_CODE> (1,942)
PTNCS

>  <AMOUNT_CURRENT> (1,942)
32.5

$$$$
WAY-335862
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.2542   -3.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -3.6417    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
    6.2292   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0167   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -3.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -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  1  0  0  0  0
  6 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  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  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15  1  1  0  0  0  0
 16  3  1  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20  4  2  0  0  0  0
 21  5  2  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 26  2  0  0  0  0
 26 20  1  0  0  0  0
  5  3  1  0  0  0  0
 25 21  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,943)
1943

>  <Formula> (1,943)
C21H23BrN2O2

>  <MolWeight> (1,943)
415.32352

>  <PCAT_CMPD_ID> (1,943)
WAY-335862

>  <CNC_ID> (1,943)
359345121

>  <transfer_container_id> (1,943)
PTN000000068

>  <COMPOUND_NUMBER> (1,943)
WAY-335862

>  <BAR_CODE_NO> (1,943)
310863

>  <LOCATION_CODE> (1,943)
PTNCS

>  <AMOUNT_CURRENT> (1,943)
32.5

$$$$
WAY-335899
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4875   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    0.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7667    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -3.4625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9125   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -3.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -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  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 14  1  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  7  1  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  7  1  0  0  0  0
 16 20  1  0  0  0  0
 17  3  2  0  0  0  0
 18  6  2  0  0  0  0
 19  5  1  0  0  0  0
 20 13  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 15  1  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
  5  4  1  0  0  0  0
 18 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,944)
1944

>  <Formula> (1,944)
C21H31N3O3

>  <MolWeight> (1,944)
373.48914

>  <PCAT_CMPD_ID> (1,944)
WAY-335899

>  <CNC_ID> (1,944)
359345158

>  <transfer_container_id> (1,944)
PTN000000068

>  <COMPOUND_NUMBER> (1,944)
WAY-335899

>  <BAR_CODE_NO> (1,944)
310900

>  <LOCATION_CODE> (1,944)
PTNCS

>  <AMOUNT_CURRENT> (1,944)
32.5

$$$$
WAY-336156
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.0250   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.8625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8375   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -3.5792    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  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  1  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  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 16  1  0  0  0  0
 20 15  1  0  0  0  0
  6  3  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,945)
1945

>  <Formula> (1,945)
C15H26N2O3

>  <MolWeight> (1,945)
282.37854

>  <PCAT_CMPD_ID> (1,945)
WAY-336156

>  <CNC_ID> (1,945)
359345414

>  <transfer_container_id> (1,945)
PTN000000068

>  <COMPOUND_NUMBER> (1,945)
WAY-336156

>  <BAR_CODE_NO> (1,945)
311157

>  <LOCATION_CODE> (1,945)
PTNCS

>  <AMOUNT_CURRENT> (1,945)
32.5

$$$$
WAY-336158
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.5250   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.7792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2167   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6375   -1.7000    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  5  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 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12  3  1  0  0  0  0
 13 19  1  0  0  0  0
 14 11  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 10  1  0  0  0  0
 20  8  2  0  0  0  0
 21  8  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
  2  7  1  0  0  0  0
 24 23  2  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,946)
1946

>  <Formula> (1,946)
C19H21FN2OS

>  <MolWeight> (1,946)
344.4462432

>  <PCAT_CMPD_ID> (1,946)
WAY-336158

>  <CNC_ID> (1,946)
359345416

>  <transfer_container_id> (1,946)
PTN000000068

>  <COMPOUND_NUMBER> (1,946)
WAY-336158

>  <BAR_CODE_NO> (1,946)
311159

>  <LOCATION_CODE> (1,946)
PTNCS

>  <AMOUNT_CURRENT> (1,946)
29.3

$$$$
WAY-336201
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1125   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.9292    0.0000 C   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
   -1.3250   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -3.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -4.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -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  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  5  1  0  0  0  0
  9 19  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  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  2  0  0  0  0
 17 13  1  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  9  1  0  0  0  0
 22  9  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 21  1  0  0  0  0
 27 25  1  0  0  0  0
  7  4  1  0  0  0  0
 18 17  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,947)
1947

>  <Formula> (1,947)
C21H28N4O2

>  <MolWeight> (1,947)
368.47262

>  <PCAT_CMPD_ID> (1,947)
WAY-336201

>  <CNC_ID> (1,947)
359345459

>  <transfer_container_id> (1,947)
PTN000000068

>  <COMPOUND_NUMBER> (1,947)
WAY-336201

>  <BAR_CODE_NO> (1,947)
311202

>  <LOCATION_CODE> (1,947)
PTNCS

>  <AMOUNT_CURRENT> (1,947)
32.5

$$$$
WAY-336248
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.1667   -1.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.6000    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  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  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  8  1  0  0  0  0
 14  6  2  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 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 13  2  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
 26 18  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
  2  7  2  0  0  0  0
 28 25  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,948)
1948

>  <Formula> (1,948)
C22H23NO4S

>  <MolWeight> (1,948)
397.48732

>  <PCAT_CMPD_ID> (1,948)
WAY-336248

>  <CNC_ID> (1,948)
359345506

>  <transfer_container_id> (1,948)
PTN000000068

>  <COMPOUND_NUMBER> (1,948)
WAY-336248

>  <BAR_CODE_NO> (1,948)
311249

>  <LOCATION_CODE> (1,948)
PTNCS

>  <AMOUNT_CURRENT> (1,948)
32.5

$$$$
WAY-336269
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.6375   -5.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -5.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -7.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -7.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -5.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -5.9375    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  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  4  1  0  0  0  0
 11  7  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 10  2  0  0  0  0
 16 19  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  0  0  0  0
 21 16  1  0  0  0  0
 22 25  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 22  1  0  0  0  0
  5  3  1  0  0  0  0
 16 20  1  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,949)
1949

>  <Formula> (1,949)
C21H20ClN3O2

>  <MolWeight> (1,949)
381.8554

>  <PCAT_CMPD_ID> (1,949)
WAY-336269

>  <CNC_ID> (1,949)
359345527

>  <transfer_container_id> (1,949)
PTN000000068

>  <COMPOUND_NUMBER> (1,949)
WAY-336269

>  <BAR_CODE_NO> (1,949)
311270

>  <LOCATION_CODE> (1,949)
PTNCS

>  <AMOUNT_CURRENT> (1,949)
32.5

$$$$
WAY-336294
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.9292   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -4.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -4.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -3.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.5208    0.0000 C   0  0  0  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  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  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  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
  3  5  1  0  0  0  0
  8  7  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,950)
1950

>  <Formula> (1,950)
C20H30N4O

>  <MolWeight> (1,950)
342.4784

>  <PCAT_CMPD_ID> (1,950)
WAY-336294

>  <CNC_ID> (1,950)
359345552

>  <transfer_container_id> (1,950)
PTN000000068

>  <COMPOUND_NUMBER> (1,950)
WAY-336294

>  <BAR_CODE_NO> (1,950)
311295

>  <LOCATION_CODE> (1,950)
PTNCS

>  <AMOUNT_CURRENT> (1,950)
32.5

$$$$
WAY-336295
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.0667   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    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  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  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  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 18  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
  8  7  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,951)
1951

>  <Formula> (1,951)
C18H26N4O

>  <MolWeight> (1,951)
314.42524

>  <PCAT_CMPD_ID> (1,951)
WAY-336295

>  <CNC_ID> (1,951)
359345553

>  <transfer_container_id> (1,951)
PTN000000068

>  <COMPOUND_NUMBER> (1,951)
WAY-336295

>  <BAR_CODE_NO> (1,951)
311296

>  <LOCATION_CODE> (1,951)
PTNCS

>  <AMOUNT_CURRENT> (1,951)
32.5

$$$$
WAY-336367
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.5042    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -2.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -3.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6292   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -4.7125    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  5  1  0  0  0  0
  5 14  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  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  2  0  0  0  0
 16 13  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 16  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
  6 10  2  0  0  0  0
 12 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,952)
1952

>  <Formula> (1,952)
C17H18N4OS2

>  <MolWeight> (1,952)
358.48102

>  <PCAT_CMPD_ID> (1,952)
WAY-336367

>  <CNC_ID> (1,952)
359345625

>  <transfer_container_id> (1,952)
PTN000000068

>  <COMPOUND_NUMBER> (1,952)
WAY-336367

>  <BAR_CODE_NO> (1,952)
311368

>  <LOCATION_CODE> (1,952)
PTNCS

>  <AMOUNT_CURRENT> (1,952)
32.5

$$$$
WAY-336439
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.0042   -8.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -6.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -6.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -7.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625  -11.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -9.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000  -10.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417  -12.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -6.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4042  -14.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042  -12.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375  -14.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -4.2667    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
    3.2167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -2.8625    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  9  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  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  2  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 16  1  0  0  0  0
 20 24  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 13  1  0  0  0  0
 26 13  2  0  0  0  0
 27 20  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
  5  4  2  0  0  0  0
 11 16  1  0  0  0  0
 23 20  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,953)
1953

>  <Formula> (1,953)
C24H20ClN3O2

>  <MolWeight> (1,953)
417.8875

>  <PCAT_CMPD_ID> (1,953)
WAY-336439

>  <CNC_ID> (1,953)
359345697

>  <transfer_container_id> (1,953)
PTN000000068

>  <COMPOUND_NUMBER> (1,953)
WAY-336439

>  <BAR_CODE_NO> (1,953)
311440

>  <LOCATION_CODE> (1,953)
PTNCS

>  <AMOUNT_CURRENT> (1,953)
32.5

$$$$
WAY-336578
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.3667   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -1.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8125   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -1.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5250   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.9625    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
    6.6625   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -2.6042    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
    0.2292   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -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  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  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  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  7  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 20  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
  3  4  1  0  0  0  0
 19 14  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,954)
1954

>  <Formula> (1,954)
C18H19N3O2

>  <MolWeight> (1,954)
309.36236

>  <PCAT_CMPD_ID> (1,954)
WAY-336578

>  <CNC_ID> (1,954)
359345835

>  <transfer_container_id> (1,954)
PTN000000068

>  <COMPOUND_NUMBER> (1,954)
WAY-336578

>  <BAR_CODE_NO> (1,954)
311579

>  <LOCATION_CODE> (1,954)
PTNCS

>  <AMOUNT_CURRENT> (1,954)
32.5

$$$$
WAY-336600
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.6792    0.0625    0.0000 N   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
    2.6667   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    3.8708    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  3  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  9 11  1  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 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  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 25  1  0  0  0  0
 25 18  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
  5  6  2  0  0  0  0
  9  4  1  0  0  0  0
 17 24  2  0  0  0  0
 29 31  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,955)
1955

>  <Formula> (1,955)
C26H21N3O2

>  <MolWeight> (1,955)
407.46384

>  <PCAT_CMPD_ID> (1,955)
WAY-336600

>  <CNC_ID> (1,955)
359345857

>  <transfer_container_id> (1,955)
PTN000000068

>  <COMPOUND_NUMBER> (1,955)
WAY-336600

>  <BAR_CODE_NO> (1,955)
311601

>  <LOCATION_CODE> (1,955)
PTNCS

>  <AMOUNT_CURRENT> (1,955)
32.5

$$$$
WAY-336630
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    9.3375   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -3.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -2.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7167   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5042   -1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0542    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    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  1  1  0  0  0  0
  6  5  2  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  3  1  0  0  0  0
 11 16  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  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
 23 10  2  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 18  2  0  0  0  0
 27 19  1  0  0  0  0
 28 21  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 25  2  0  0  0  0
 32 30  2  0  0  0  0
 33 31  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  2  0  0  0  0
 11 17  1  0  0  0  0
 26 32  1  0  0  0  0
 33 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,956)
1956

>  <Formula> (1,956)
C26H29N5O2

>  <MolWeight> (1,956)
443.54076

>  <PCAT_CMPD_ID> (1,956)
WAY-336630

>  <CNC_ID> (1,956)
359345887

>  <transfer_container_id> (1,956)
PTN000000068

>  <COMPOUND_NUMBER> (1,956)
WAY-336630

>  <BAR_CODE_NO> (1,956)
311631

>  <LOCATION_CODE> (1,956)
PTNCS

>  <AMOUNT_CURRENT> (1,956)
32.5

$$$$
WAY-336633
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.1875   -2.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -3.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -7.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792   -8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -6.9167    0.0000 C   0  0  0  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  5  2  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  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12 15  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 19  1  0  0  0  0
 16 10  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 12  1  0  0  0  0
 21  6  1  0  0  0  0
 22 16  1  0  0  0  0
 23 10  2  0  0  0  0
 24 11  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
  6  3  1  0  0  0  0
 11  7  2  0  0  0  0
 15 18  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,957)
1957

>  <Formula> (1,957)
C21H25N5O2

>  <MolWeight> (1,957)
379.4555

>  <PCAT_CMPD_ID> (1,957)
WAY-336633

>  <CNC_ID> (1,957)
359345890

>  <transfer_container_id> (1,957)
PTN000000068

>  <COMPOUND_NUMBER> (1,957)
WAY-336633

>  <BAR_CODE_NO> (1,957)
311634

>  <LOCATION_CODE> (1,957)
PTNCS

>  <AMOUNT_CURRENT> (1,957)
32.5

$$$$
WAY-336740
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -3.1833    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    2.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4583    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    2.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    2.6708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    3.5083    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    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  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  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  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 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 11  2  0  0  0  0
 20 16  1  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
 10  9  2  0  0  0  0
  3  4  1  0  0  0  0
 22 14  2  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,958)
1958

>  <Formula> (1,958)
C16H11BrFN5

>  <MolWeight> (1,958)
372.1944432

>  <PCAT_CMPD_ID> (1,958)
WAY-336740

>  <CNC_ID> (1,958)
359345996

>  <transfer_container_id> (1,958)
PTN000000068

>  <COMPOUND_NUMBER> (1,958)
WAY-336740

>  <BAR_CODE_NO> (1,958)
311741

>  <LOCATION_CODE> (1,958)
PTNCS

>  <AMOUNT_CURRENT> (1,958)
32.5

$$$$
WAY-336760
csChFnd80/11182011152D

 30 35  0  0  0  0  0  0  0  0999 V2000
    5.3250   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -3.7792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0375   -3.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1125   -5.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -4.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -1.3542    0.0000 N   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
    4.9750   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -0.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -6.2417    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  3  2  0  0  0  0
  9  7  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  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 26  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  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 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 15  2  0  0  0  0
 28 15  1  0  0  0  0
 29 23  2  0  0  0  0
 30 24  2  0  0  0  0
  3  5  1  0  0  0  0
 12 10  2  0  0  0  0
 25 16  2  0  0  0  0
 21 19  1  0  0  0  0
 13  8  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,959)
1959

>  <Formula> (1,959)
C23H16FN5O

>  <MolWeight> (1,959)
397.4044432

>  <PCAT_CMPD_ID> (1,959)
WAY-336760

>  <CNC_ID> (1,959)
359346016

>  <transfer_container_id> (1,959)
PTN000000068

>  <COMPOUND_NUMBER> (1,959)
WAY-336760

>  <BAR_CODE_NO> (1,959)
311761

>  <LOCATION_CODE> (1,959)
PTNCS

>  <AMOUNT_CURRENT> (1,959)
32.5

$$$$
WAY-336784
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0750   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -1.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0750   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -3.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -2.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9250   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.7208    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  1  2  0  0  0  0
  5  7  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  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  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 10  1  0  0  0  0
 17 26  1  0  0  0  0
 18  4  1  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
 22 10  2  0  0  0  0
 23 12  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 16  2  0  0  0  0
 28 22  1  0  0  0  0
 29 28  2  0  0  0  0
  5  2  2  0  0  0  0
 25 17  1  0  0  0  0
 13 12  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,960)
1960

>  <Formula> (1,960)
C23H27FN2O3

>  <MolWeight> (1,960)
398.4704832

>  <PCAT_CMPD_ID> (1,960)
WAY-336784

>  <CNC_ID> (1,960)
359346040

>  <transfer_container_id> (1,960)
PTN000000068

>  <COMPOUND_NUMBER> (1,960)
WAY-336784

>  <BAR_CODE_NO> (1,960)
311785

>  <LOCATION_CODE> (1,960)
PTNCS

>  <AMOUNT_CURRENT> (1,960)
32.5

$$$$
WAY-336785
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.3417   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9167   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -1.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    0.9625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1917   -2.7625    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  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  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  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  5  2  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20  6  1  0  0  0  0
 21  4  1  0  0  0  0
 22 12  1  0  0  0  0
 23  9  1  0  0  0  0
 24  9  1  0  0  0  0
 25 13  1  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 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  3  6  2  0  0  0  0
 11 10  2  0  0  0  0
 28 31  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,961)
1961

>  <Formula> (1,961)
C24H29BrN2O4

>  <MolWeight> (1,961)
489.40206

>  <PCAT_CMPD_ID> (1,961)
WAY-336785

>  <CNC_ID> (1,961)
359346041

>  <transfer_container_id> (1,961)
PTN000000068

>  <COMPOUND_NUMBER> (1,961)
WAY-336785

>  <BAR_CODE_NO> (1,961)
311786

>  <LOCATION_CODE> (1,961)
PTNCS

>  <AMOUNT_CURRENT> (1,961)
32.5

$$$$
WAY-336851
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.4542    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    4.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.3500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  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  2  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 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  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  8  2  0  0  0  0
 19  9  2  0  0  0  0
 20  6  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 20  1  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
  5  2  2  0  0  0  0
 12 14  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,962)
1962

>  <Formula> (1,962)
C19H20BrNO6

>  <MolWeight> (1,962)
438.2692

>  <PCAT_CMPD_ID> (1,962)
WAY-336851

>  <CNC_ID> (1,962)
359346107

>  <transfer_container_id> (1,962)
PTN000000068

>  <COMPOUND_NUMBER> (1,962)
WAY-336851

>  <BAR_CODE_NO> (1,962)
311852

>  <LOCATION_CODE> (1,962)
PTNCS

>  <AMOUNT_CURRENT> (1,962)
32.5

$$$$
WAY-336853
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.2292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -0.5250    0.0000 C   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
    6.1000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  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  2  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  9  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  8  1  0  0  0  0
 17  7  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
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  5  2  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,963)
1963

>  <Formula> (1,963)
C16H19NO4S

>  <MolWeight> (1,963)
321.39136

>  <PCAT_CMPD_ID> (1,963)
WAY-336853

>  <CNC_ID> (1,963)
359346109

>  <transfer_container_id> (1,963)
PTN000000068

>  <COMPOUND_NUMBER> (1,963)
WAY-336853

>  <BAR_CODE_NO> (1,963)
311854

>  <LOCATION_CODE> (1,963)
PTNCS

>  <AMOUNT_CURRENT> (1,963)
32.5

$$$$
WAY-336868
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.2208    1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.2208    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
    1.0375    1.1000    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
    3.4167   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.5792    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 10  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  1  1  0  0  0  0
 10 11  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  2  2  0  0  0  0
 15  4  2  0  0  0  0
 16 27  1  0  0  0  0
 17  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20  5  2  0  0  0  0
 21  8  1  0  0  0  0
 22 23  2  0  0  0  0
 23 20  1  0  0  0  0
 24  9  1  0  0  0  0
 25  9  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 31  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 31 21  2  0  0  0  0
 22 10  1  0  0  0  0
 17 28  2  0  0  0  0
 26 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,964)
1964

>  <Formula> (1,964)
C22H27N3O5S

>  <MolWeight> (1,964)
445.53188

>  <PCAT_CMPD_ID> (1,964)
WAY-336868

>  <CNC_ID> (1,964)
359346124

>  <transfer_container_id> (1,964)
PTN000000068

>  <COMPOUND_NUMBER> (1,964)
WAY-336868

>  <BAR_CODE_NO> (1,964)
311869

>  <LOCATION_CODE> (1,964)
PTNCS

>  <AMOUNT_CURRENT> (1,964)
32.5

$$$$
WAY-336872
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.1125   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -4.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -3.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417   -1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -3.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -4.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -6.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  6  1  0  0  0  0
  9  8  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  6  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  5  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
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
  4  7  1  0  0  0  0
 14 15  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,965)
1965

>  <Formula> (1,965)
C16H19N3O3S

>  <MolWeight> (1,965)
333.40536

>  <PCAT_CMPD_ID> (1,965)
WAY-336872

>  <CNC_ID> (1,965)
359346128

>  <transfer_container_id> (1,965)
PTN000000068

>  <COMPOUND_NUMBER> (1,965)
WAY-336872

>  <BAR_CODE_NO> (1,965)
311873

>  <LOCATION_CODE> (1,965)
PTNCS

>  <AMOUNT_CURRENT> (1,965)
32.5

$$$$
WAY-337000
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.5958    2.4458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    3.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    0.7833    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -0.0167    0.0000 Cl  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 14  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  4  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 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  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 22  2  0  0  0  0
 21 25  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 18  2  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
 20 23  1  0  0  0  0
 13  4  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,966)
1966

>  <Formula> (1,966)
C19H20BrClN2O3S

>  <MolWeight> (1,966)
471.7957

>  <PCAT_CMPD_ID> (1,966)
WAY-337000

>  <CNC_ID> (1,966)
359346256

>  <transfer_container_id> (1,966)
PTN000000068

>  <COMPOUND_NUMBER> (1,966)
WAY-337000

>  <BAR_CODE_NO> (1,966)
312001

>  <LOCATION_CODE> (1,966)
PTNCS

>  <AMOUNT_CURRENT> (1,966)
32.5

$$$$
WAY-337039
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.1250  -13.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -3.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250  -11.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667  -14.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875  -14.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542   -5.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042  -15.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000  -10.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8292   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -0.4667    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  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  7  2  0  0  0  0
 11  4  1  0  0  0  0
 12 15  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  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  4  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  9 10  1  0  0  0  0
 15 17  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,967)
1967

>  <Formula> (1,967)
C20H20N2O

>  <MolWeight> (1,967)
304.3856

>  <PCAT_CMPD_ID> (1,967)
WAY-337039

>  <CNC_ID> (1,967)
359346295

>  <transfer_container_id> (1,967)
PTN000000068

>  <COMPOUND_NUMBER> (1,967)
WAY-337039

>  <BAR_CODE_NO> (1,967)
312040

>  <LOCATION_CODE> (1,967)
PTNCS

>  <AMOUNT_CURRENT> (1,967)
32.5

$$$$
WAY-337041
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2168    2.2102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    9.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1627    1.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1321    0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    7.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   10.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    6.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    5.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    5.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687   12.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8519    9.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   12.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476   12.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0644   10.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828   12.0009    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  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  3  2  0  0  0  0
 11  3  1  0  0  0  0
 12 14  1  0  0  0  0
 13  4  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17 20  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 17  1  0  0  0  0
 23 22  1  0  0  0  0
  9  8  1  0  0  0  0
 16 14  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,968)
1968

>  <Formula> (1,968)
C20H20N2O

>  <MolWeight> (1,968)
304.3856

>  <PCAT_CMPD_ID> (1,968)
WAY-337041

>  <CNC_ID> (1,968)
359346297

>  <transfer_container_id> (1,968)
PTN000000068

>  <COMPOUND_NUMBER> (1,968)
WAY-337041

>  <BAR_CODE_NO> (1,968)
312042

>  <LOCATION_CODE> (1,968)
PTNCS

>  <AMOUNT_CURRENT> (1,968)
32.5

$$$$
WAY-337063
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.9282    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0621   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -0.8660    0.0000 O   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
    4.5981    1.5000    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
    2.8660    1.5000    0.0000 C   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    0.0000    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
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    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
  2  4  1  0  0  0  0
  4  9  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  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 22  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
 17 22  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
M  END
>  <Mol_ID> (1,969)
1969

>  <Formula> (1,969)
C15H16N2O4S

>  <MolWeight> (1,969)
320.36354

>  <PCAT_CMPD_ID> (1,969)
WAY-337063

>  <CNC_ID> (1,969)
359346319

>  <transfer_container_id> (1,969)
PTN000000068

>  <COMPOUND_NUMBER> (1,969)
WAY-337063

>  <BAR_CODE_NO> (1,969)
312064

>  <LOCATION_CODE> (1,969)
PTNCS

>  <AMOUNT_CURRENT> (1,969)
32.5

$$$$
WAY-337064
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.2125   -4.6250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -6.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -5.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -5.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -2.9917    0.0000 O   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
    2.9542   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -2.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  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 15  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 18  1  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 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21  6  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  1  0  0  0  0
 17 15  1  0  0  0  0
  7  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,970)
1970

>  <Formula> (1,970)
C14H21N3O5S

>  <MolWeight> (1,970)
343.39864

>  <PCAT_CMPD_ID> (1,970)
WAY-337064

>  <CNC_ID> (1,970)
359346320

>  <transfer_container_id> (1,970)
PTN000000068

>  <COMPOUND_NUMBER> (1,970)
WAY-337064

>  <BAR_CODE_NO> (1,970)
312065

>  <LOCATION_CODE> (1,970)
PTNCS

>  <AMOUNT_CURRENT> (1,970)
32.5

$$$$
WAY-337070
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.4625   -0.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -4.2667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.5375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -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  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  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  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11 14  2  0  0  0  0
 12 18  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 21  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  1  0  0  0  0
 18 22  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 13  2  0  0  0  0
 23 12  1  0  0  0  0
 24 17  1  0  0  0  0
 25 11  1  0  0  0  0
  4 19  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,971)
1971

>  <Formula> (1,971)
C15H16Br2N4O3S

>  <MolWeight> (1,971)
492.18554

>  <PCAT_CMPD_ID> (1,971)
WAY-337070

>  <CNC_ID> (1,971)
359346326

>  <transfer_container_id> (1,971)
PTN000000068

>  <COMPOUND_NUMBER> (1,971)
WAY-337070

>  <BAR_CODE_NO> (1,971)
312071

>  <LOCATION_CODE> (1,971)
PTNCS

>  <AMOUNT_CURRENT> (1,971)
32.5

$$$$
WAY-337122
csChFnd80/11182011152D

 29 31  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
   -4.5958    2.5500    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
   -0.2875    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
   -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    5.4417    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
   -4.5958    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5583    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
   -2.4333    3.7958    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
   -0.2833    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    5.8667    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
    1.8625    7.1167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    2.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4417    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  4  1  0  0  0  0
  4 11  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  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  3  1  0  0  0  0
 14  4  2  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  5  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  2  0  0  0  0
 21 24  1  0  0  0  0
 22 20  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 12  1  0  0  0  0
 27 20  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 21 23  2  0  0  0  0
  6 15  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,972)
1972

>  <Formula> (1,972)
C20H23BrN2O5S

>  <MolWeight> (1,972)
483.37602

>  <PCAT_CMPD_ID> (1,972)
WAY-337122

>  <CNC_ID> (1,972)
359346378

>  <transfer_container_id> (1,972)
PTN000000068

>  <COMPOUND_NUMBER> (1,972)
WAY-337122

>  <BAR_CODE_NO> (1,972)
312123

>  <LOCATION_CODE> (1,972)
PTNCS

>  <AMOUNT_CURRENT> (1,972)
32.5

$$$$
WAY-337131
csChFnd80/11182011152D

 29 31  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
   -0.2833    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7250    0.0000 N   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
   -3.1583    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
   -5.2958    1.3000    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
   -6.0000    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3000    2.9833    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
   -3.1458    5.0292    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
   -0.2750    6.6792    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
   -6.0000    2.5375    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
    0.4417    7.0917    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
    1.8750    7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    1.3000    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
   -6.0000    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  0  0  0  0
  6 17  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  4  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  2  0  0  0  0
 14  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  2  0  0  0  0
 20 13  1  0  0  0  0
 21 23  2  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 11  1  0  0  0  0
 26 13  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
 22 21  1  0  0  0  0
  6 16  1  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,973)
1973

>  <Formula> (1,973)
C20H24FN3O4S

>  <MolWeight> (1,973)
421.4856632

>  <PCAT_CMPD_ID> (1,973)
WAY-337131

>  <CNC_ID> (1,973)
359346387

>  <transfer_container_id> (1,973)
PTN000000068

>  <COMPOUND_NUMBER> (1,973)
WAY-337131

>  <BAR_CODE_NO> (1,973)
312132

>  <LOCATION_CODE> (1,973)
PTNCS

>  <AMOUNT_CURRENT> (1,973)
32.5

$$$$
WAY-337265
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.5476   -1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -0.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976   -0.2259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502   -2.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3077    0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1950    1.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0963   -0.2895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501   -2.7271    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -4.2350    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244   -3.0172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7604    0.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    1.5928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4079   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448    2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6199    1.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1630    2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0648    1.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2632    0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6157    2.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4386    2.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1360    0.4687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6658    1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  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
  7 15  2  0  0  0  0
  8 16  2  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  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
  7 13  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,974)
1974

>  <Formula> (1,974)
C16H10F3N3O2

>  <MolWeight> (1,974)
333.2647096

>  <PCAT_CMPD_ID> (1,974)
WAY-337265

>  <CNC_ID> (1,974)
359346518

>  <transfer_container_id> (1,974)
PTN000000068

>  <COMPOUND_NUMBER> (1,974)
WAY-337265

>  <BAR_CODE_NO> (1,974)
312266

>  <LOCATION_CODE> (1,974)
PTNCS

>  <AMOUNT_CURRENT> (1,974)
32.5

$$$$
WAY-337274
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.9708    1.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -0.0250    0.0000 C   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
   -0.2458    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.2125    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
    1.1792   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -0.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.4583    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  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 18  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  3  2  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  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 10  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  6  1  0  0  0  0
  4 11  1  0  0  0  0
 24 22  2  0  0  0  0
  5  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,975)
1975

>  <Formula> (1,975)
C17H13FN2O5S

>  <MolWeight> (1,975)
376.3589232

>  <PCAT_CMPD_ID> (1,975)
WAY-337274

>  <CNC_ID> (1,975)
359346526

>  <transfer_container_id> (1,975)
PTN000000068

>  <COMPOUND_NUMBER> (1,975)
WAY-337274

>  <BAR_CODE_NO> (1,975)
312275

>  <LOCATION_CODE> (1,975)
PTNCS

>  <AMOUNT_CURRENT> (1,975)
32.5

$$$$
WAY-337287
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.7542    1.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417    2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    1.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625    2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6250    0.6875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6250   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    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  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  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  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  7  1  0  0  0  0
 16 15  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 19  1  0  0  0  0
 21 10  1  0  0  0  0
 22  4  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
  8  6  2  0  0  0  0
 20 18  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,976)
1976

>  <Formula> (1,976)
C17H21NO5S

>  <MolWeight> (1,976)
351.41734

>  <PCAT_CMPD_ID> (1,976)
WAY-337287

>  <CNC_ID> (1,976)
359346539

>  <transfer_container_id> (1,976)
PTN000000068

>  <COMPOUND_NUMBER> (1,976)
WAY-337287

>  <BAR_CODE_NO> (1,976)
312288

>  <LOCATION_CODE> (1,976)
PTNCS

>  <AMOUNT_CURRENT> (1,976)
32.5

$$$$
WAY-337490
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -4.0458    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.2833    0.0000 O   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
    3.1500    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    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  9  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  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12 15  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 17  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  2  0  0  0  0
 21 12  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  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
 19 24  2  0  0  0  0
 12  5  2  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,977)
1977

>  <Formula> (1,977)
C21H17N3O3

>  <MolWeight> (1,977)
359.37798

>  <PCAT_CMPD_ID> (1,977)
WAY-337490

>  <CNC_ID> (1,977)
359346742

>  <transfer_container_id> (1,977)
PTN000000068

>  <COMPOUND_NUMBER> (1,977)
WAY-337490

>  <BAR_CODE_NO> (1,977)
312491

>  <LOCATION_CODE> (1,977)
PTNCS

>  <AMOUNT_CURRENT> (1,977)
32.5

$$$$
WAY-337681
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0542   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -3.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -3.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -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  1  0  0  0  0
  5  3  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  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  2  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16 19  2  0  0  0  0
 17  3  1  0  0  0  0
 18  4  2  0  0  0  0
 19 15  1  0  0  0  0
 20 10  1  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 22  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
  4  5  1  0  0  0  0
 24 14  2  0  0  0  0
 25 23  2  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,978)
1978

>  <Formula> (1,978)
C21H18N2O4

>  <MolWeight> (1,978)
362.37862

>  <PCAT_CMPD_ID> (1,978)
WAY-337681

>  <CNC_ID> (1,978)
359346933

>  <transfer_container_id> (1,978)
PTN000000068

>  <COMPOUND_NUMBER> (1,978)
WAY-337681

>  <BAR_CODE_NO> (1,978)
312682

>  <LOCATION_CODE> (1,978)
PTNCS

>  <AMOUNT_CURRENT> (1,978)
32.5

$$$$
WAY-337682
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0667    0.3708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8542    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3375   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.7833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3458    0.3708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5500    0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.8458    0.0000 C   0  0  0  0  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  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  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 14  2  0  0  0  0
 18 10  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 16  1  0  0  0  0
  8  4  1  0  0  0  0
  6  7  1  0  0  0  0
 12  9  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,979)
1979

>  <Formula> (1,979)
C17H17NO4

>  <MolWeight> (1,979)
299.32118

>  <PCAT_CMPD_ID> (1,979)
WAY-337682

>  <CNC_ID> (1,979)
359346934

>  <transfer_container_id> (1,979)
PTN000000068

>  <COMPOUND_NUMBER> (1,979)
WAY-337682

>  <BAR_CODE_NO> (1,979)
312683

>  <LOCATION_CODE> (1,979)
PTNCS

>  <AMOUNT_CURRENT> (1,979)
32.5

$$$$
WAY-337755
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.9125   -9.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1792  -10.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167  -10.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2000   -9.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4917   -9.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2875   -9.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -8.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -8.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167  -10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -8.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042  -11.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417  -10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2292   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542  -10.1250    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  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  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14 11  2  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  8  2  1  0  0  0  0
  6  7  1  0  0  0  0
 10 12  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,980)
1980

>  <Formula> (1,980)
C17H17NO4

>  <MolWeight> (1,980)
299.32118

>  <PCAT_CMPD_ID> (1,980)
WAY-337755

>  <CNC_ID> (1,980)
359347006

>  <transfer_container_id> (1,980)
PTN000000068

>  <COMPOUND_NUMBER> (1,980)
WAY-337755

>  <BAR_CODE_NO> (1,980)
312756

>  <LOCATION_CODE> (1,980)
PTNCS

>  <AMOUNT_CURRENT> (1,980)
32.5

$$$$
WAY-337770
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0625   -2.5292    0.0000 N   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
    0.0625   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250   -1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -3.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -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  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 12  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 10  1  0  0  0  0
 13 16  2  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 19  1  0  0  0  0
 17  3  1  0  0  0  0
 18  4  2  0  0  0  0
 19 12  2  0  0  0  0
 20  9  1  0  0  0  0
 21 13  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 15  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
  5  4  1  0  0  0  0
 15 24  2  0  0  0  0
 23 25  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,981)
1981

>  <Formula> (1,981)
C21H18N2O4

>  <MolWeight> (1,981)
362.37862

>  <PCAT_CMPD_ID> (1,981)
WAY-337770

>  <CNC_ID> (1,981)
359347021

>  <transfer_container_id> (1,981)
PTN000000068

>  <COMPOUND_NUMBER> (1,981)
WAY-337770

>  <BAR_CODE_NO> (1,981)
312771

>  <LOCATION_CODE> (1,981)
PTNCS

>  <AMOUNT_CURRENT> (1,981)
32.5

$$$$
WAY-337801
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.8292   -5.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -8.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8292   -7.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4500   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500   -3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667  -10.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292  -10.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -5.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -9.6917    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
   16.0000   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6042  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -5.6917    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
  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  3  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  8  2  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  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 22  2  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
  5  2  1  0  0  0  0
 14 20  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,982)
1982

>  <Formula> (1,982)
C18H17NO4

>  <MolWeight> (1,982)
311.33188

>  <PCAT_CMPD_ID> (1,982)
WAY-337801

>  <CNC_ID> (1,982)
359347052

>  <transfer_container_id> (1,982)
PTN000000068

>  <COMPOUND_NUMBER> (1,982)
WAY-337801

>  <BAR_CODE_NO> (1,982)
312802

>  <LOCATION_CODE> (1,982)
PTNCS

>  <AMOUNT_CURRENT> (1,982)
32.5

$$$$
WAY-337804
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.3000   -7.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6458   -4.7250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6458   -6.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9667   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -7.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125   -9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6500   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417   -4.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6500   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292   -9.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042  -10.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -2.4042    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  3  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  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14  1  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17  6  2  0  0  0  0
 18 15  1  0  0  0  0
 19  9  1  0  0  0  0
 20  7  2  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  6  2  1  0  0  0  0
 17 24  1  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,983)
1983

>  <Formula> (1,983)
C19H19NO5

>  <MolWeight> (1,983)
341.35786

>  <PCAT_CMPD_ID> (1,983)
WAY-337804

>  <CNC_ID> (1,983)
359347055

>  <transfer_container_id> (1,983)
PTN000000068

>  <COMPOUND_NUMBER> (1,983)
WAY-337804

>  <BAR_CODE_NO> (1,983)
312805

>  <LOCATION_CODE> (1,983)
PTNCS

>  <AMOUNT_CURRENT> (1,983)
32.5

$$$$
WAY-358950
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.6542   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    1.4958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -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  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  4  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  7  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 11  2  0  0  0  0
 16  5  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 16  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
  5  9  1  0  0  0  0
 10  7  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,984)
1984

>  <Formula> (1,984)
C18H20ClN3OS

>  <MolWeight> (1,984)
361.8889

>  <PCAT_CMPD_ID> (1,984)
WAY-358950

>  <CNC_ID> (1,984)
359347235

>  <transfer_container_id> (1,984)
PTN000000068

>  <COMPOUND_NUMBER> (1,984)
WAY-358950

>  <BAR_CODE_NO> (1,984)
90463016

>  <LOCATION_CODE> (1,984)
PTNCS

>  <AMOUNT_CURRENT> (1,984)
32.9

$$$$
WAY-611434
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0750    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7875   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.2833    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 14  1  0  0  0  0
  6  2  2  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  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  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 11  1  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 12  1  0  0  0  0
 21 18  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
  5  2  1  0  0  0  0
 16 17  2  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,985)
1985

>  <Formula> (1,985)
C19H23NO3S

>  <MolWeight> (1,985)
345.45582

>  <PCAT_CMPD_ID> (1,985)
WAY-611434

>  <CNC_ID> (1,985)
359347335

>  <transfer_container_id> (1,985)
PTN000000068

>  <COMPOUND_NUMBER> (1,985)
WAY-611434

>  <BAR_CODE_NO> (1,985)
90445286

>  <LOCATION_CODE> (1,985)
PTNCS

>  <AMOUNT_CURRENT> (1,985)
32.4

$$$$
WAY-611778
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0417    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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 10  1  0  0  0  0
  9  7  2  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 17  1  0  0  0  0
 14  2  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  1  0  0  0  0
 18 13  1  0  0  0  0
 19  4  1  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 20  2  0  0  0  0
 24 23  1  0  0  0  0
 12 11  2  0  0  0  0
  6  9  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,986)
1986

>  <Formula> (1,986)
C17H15N3O3S

>  <MolWeight> (1,986)
341.3843

>  <PCAT_CMPD_ID> (1,986)
WAY-611778

>  <CNC_ID> (1,986)
359347681

>  <transfer_container_id> (1,986)
PTN000000068

>  <COMPOUND_NUMBER> (1,986)
WAY-611778

>  <BAR_CODE_NO> (1,986)
90445641

>  <LOCATION_CODE> (1,986)
PTNCS

>  <AMOUNT_CURRENT> (1,986)
32

$$$$
WAY-611559
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.6667    1.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.4167    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
    1.9542   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    3.5333    0.0000 O   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
    1.9542    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  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  9  2  0  0  0  0
  9  5  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  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 13  1  0  0  0  0
 17 27  1  0  0  0  0
 18 23  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 16  2  0  0  0  0
 23 20  2  0  0  0  0
 24 30  1  0  0  0  0
 25  4  1  0  0  0  0
 26  4  1  0  0  0  0
 27 16  1  0  0  0  0
 28  8  1  0  0  0  0
 29  9  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
 32 18  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  2  0  0  0  0
 24 31  1  0  0  0  0
 18 11  2  0  0  0  0
  8  6  1  0  0  0  0
 33 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,987)
1987

>  <Formula> (1,987)
C23H22N2O8S

>  <MolWeight> (1,987)
486.49438

>  <PCAT_CMPD_ID> (1,987)
WAY-611559

>  <CNC_ID> (1,987)
359347460

>  <transfer_container_id> (1,987)
PTN000000068

>  <COMPOUND_NUMBER> (1,987)
WAY-611559

>  <BAR_CODE_NO> (1,987)
90445415

>  <LOCATION_CODE> (1,987)
PTNCS

>  <AMOUNT_CURRENT> (1,987)
32.7

$$$$
WAY-611601
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.6250   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -2.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    2.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    2.7500    0.0000 C   0  0  0  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
   -1.3208   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    0.6083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    3.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   -1.9500    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 10  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  3  2  0  0  0  0
 10 19  1  0  0  0  0
 11  9  1  0  0  0  0
 12 21  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  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  2  1  0  0  0  0
 19 15  1  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  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  4  8  1  0  0  0  0
 26 24  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,988)
1988

>  <Formula> (1,988)
C17H13Cl2N3O3S

>  <MolWeight> (1,988)
410.27442

>  <PCAT_CMPD_ID> (1,988)
WAY-611601

>  <CNC_ID> (1,988)
359347502

>  <transfer_container_id> (1,988)
PTN000000068

>  <COMPOUND_NUMBER> (1,988)
WAY-611601

>  <BAR_CODE_NO> (1,988)
90445459

>  <LOCATION_CODE> (1,988)
PTNCS

>  <AMOUNT_CURRENT> (1,988)
32.8

$$$$
WAY-611634
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2042   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.3083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.1708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -1.9417    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  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 12  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12 22  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17  3  1  0  0  0  0
 18 12  2  0  0  0  0
 19 11  2  0  0  0  0
 20 14  2  0  0  0  0
 21  9  2  0  0  0  0
 22 15  1  0  0  0  0
 23 10  1  0  0  0  0
 24 13  2  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
  4  5  2  0  0  0  0
 24 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,989)
1989

>  <Formula> (1,989)
C16H8Cl3FN2O3S

>  <MolWeight> (1,989)
433.6687232

>  <PCAT_CMPD_ID> (1,989)
WAY-611634

>  <CNC_ID> (1,989)
359347535

>  <transfer_container_id> (1,989)
PTN000000068

>  <COMPOUND_NUMBER> (1,989)
WAY-611634

>  <BAR_CODE_NO> (1,989)
90445495

>  <LOCATION_CODE> (1,989)
PTNCS

>  <AMOUNT_CURRENT> (1,989)
32.7

$$$$
WAY-611662
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.1792   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  7  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  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  2  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  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
  4  2  1  0  0  0  0
 14 11  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,990)
1990

>  <Formula> (1,990)
C16H14N2O3

>  <MolWeight> (1,990)
282.29396

>  <PCAT_CMPD_ID> (1,990)
WAY-611662

>  <CNC_ID> (1,990)
359347565

>  <transfer_container_id> (1,990)
PTN000000068

>  <COMPOUND_NUMBER> (1,990)
WAY-611662

>  <BAR_CODE_NO> (1,990)
90445523

>  <LOCATION_CODE> (1,990)
PTNCS

>  <AMOUNT_CURRENT> (1,990)
32.8

$$$$
WAY-611677
csChFnd80/11182011152D

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.5542    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.2250    0.0000 N   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
   -1.0125    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.7250    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
   -0.2958   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -4.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.2292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.0750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    4.0792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    3.7958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    2.6583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -4.4625    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 12  1  0  0  0  0
  5 21  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  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11 22  1  0  0  0  0
 12 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16  2  1  0  0  0  0
 17 11  1  0  0  0  0
 18  4  2  0  0  0  0
 19  6  2  0  0  0  0
 20  7  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23  1  1  0  0  0  0
 24  1  1  0  0  0  0
 25  1  1  0  0  0  0
 26  5  1  0  0  0  0
 27  5  1  0  0  0  0
 28  5  1  0  0  0  0
 29  6  1  0  0  0  0
 11  8  2  0  0  0  0
  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,991)
1991

>  <Formula> (1,991)
C17H19F6N3O3

>  <MolWeight> (1,991)
427.3414792

>  <PCAT_CMPD_ID> (1,991)
WAY-611677

>  <CNC_ID> (1,991)
359347580

>  <transfer_container_id> (1,991)
PTN000000068

>  <COMPOUND_NUMBER> (1,991)
WAY-611677

>  <BAR_CODE_NO> (1,991)
90445539

>  <LOCATION_CODE> (1,991)
PTNCS

>  <AMOUNT_CURRENT> (1,991)
32.5

$$$$
WAY-611691
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8755    0.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755   -0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2548    0.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755   -1.0559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651   -1.0559    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    0.1338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755    1.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2548   -0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659    0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0030   -1.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659   -1.0766    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659    1.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    0.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0030   -1.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142    1.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556    0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556    1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  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
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,992)
1992

>  <Formula> (1,992)
C14H12N2OS2

>  <MolWeight> (1,992)
288.38788

>  <PCAT_CMPD_ID> (1,992)
WAY-611691

>  <CNC_ID> (1,992)
359347594

>  <transfer_container_id> (1,992)
PTN000000068

>  <COMPOUND_NUMBER> (1,992)
WAY-611691

>  <BAR_CODE_NO> (1,992)
90445554

>  <LOCATION_CODE> (1,992)
PTNCS

>  <AMOUNT_CURRENT> (1,992)
32.5

$$$$
WAY-611715
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5583    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -3.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -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  4  1  0  0  0  0
  4 18  1  0  0  0  0
  5 17  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  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  2  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 13 14  2  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,993)
1993

>  <Formula> (1,993)
C12H11NO4S

>  <MolWeight> (1,993)
265.28504

>  <PCAT_CMPD_ID> (1,993)
WAY-611715

>  <CNC_ID> (1,993)
359347618

>  <transfer_container_id> (1,993)
PTN000000068

>  <COMPOUND_NUMBER> (1,993)
WAY-611715

>  <BAR_CODE_NO> (1,993)
90445578

>  <LOCATION_CODE> (1,993)
PTNCS

>  <AMOUNT_CURRENT> (1,993)
32.3

$$$$
WAY-611760
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.3417   -0.4125    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
    0.3417    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.0625    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    2.0625    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
   -1.0875   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.8875    0.0000 C   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
   -2.5208    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    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  1  1  0  0  0  0
  5  4  2  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  8  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  9  1  0  0  0  0
 14 11  2  0  0  0  0
 15 25  1  0  0  0  0
 16 23  1  0  0  0  0
 17  4  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 12  1  0  0  0  0
 22 12  1  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  1  0  0  0  0
 27 18  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
 16 24  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,994)
1994

>  <Formula> (1,994)
C18H24N4O4S

>  <MolWeight> (1,994)
392.47256

>  <PCAT_CMPD_ID> (1,994)
WAY-611760

>  <CNC_ID> (1,994)
359347663

>  <transfer_container_id> (1,994)
PTN000000068

>  <COMPOUND_NUMBER> (1,994)
WAY-611760

>  <BAR_CODE_NO> (1,994)
90445623

>  <LOCATION_CODE> (1,994)
PTNCS

>  <AMOUNT_CURRENT> (1,994)
32.1

$$$$
WAY-611819
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.7667    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.4125    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  4  2  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  8  1  0  0  0  0
 11  9  3  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  7  1  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 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  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
  2  6  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,995)
1995

>  <Formula> (1,995)
C17H24N6O

>  <MolWeight> (1,995)
328.41206

>  <PCAT_CMPD_ID> (1,995)
WAY-611819

>  <CNC_ID> (1,995)
359347721

>  <transfer_container_id> (1,995)
PTN000000068

>  <COMPOUND_NUMBER> (1,995)
WAY-611819

>  <BAR_CODE_NO> (1,995)
90445682

>  <LOCATION_CODE> (1,995)
PTNCS

>  <AMOUNT_CURRENT> (1,995)
32.2

$$$$
WAY-611853
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4083    2.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -2.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    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  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12  4  1  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 15  1  0  0  0  0
 18  3  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23  7  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 20  7  1  0  0  0  0
 27 23  2  0  0  0  0
  5 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,996)
1996

>  <Formula> (1,996)
C22H27N3O2

>  <MolWeight> (1,996)
365.46868

>  <PCAT_CMPD_ID> (1,996)
WAY-611853

>  <CNC_ID> (1,996)
359347755

>  <transfer_container_id> (1,996)
PTN000000068

>  <COMPOUND_NUMBER> (1,996)
WAY-611853

>  <BAR_CODE_NO> (1,996)
90445717

>  <LOCATION_CODE> (1,996)
PTNCS

>  <AMOUNT_CURRENT> (1,996)
32.8

$$$$
WAY-611886
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2917   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.6208    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
   -1.4208    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    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  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 11  2  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  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  3  2  0  0  0  0
 16 13  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 17  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 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27 20  2  0  0  0  0
 28 26  2  0  0  0  0
 29 24  2  0  0  0  0
  4  6  1  0  0  0  0
 10  8  1  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,997)
1997

>  <Formula> (1,997)
C23H23N3O3

>  <MolWeight> (1,997)
389.44702

>  <PCAT_CMPD_ID> (1,997)
WAY-611886

>  <CNC_ID> (1,997)
359347788

>  <transfer_container_id> (1,997)
PTN000000068

>  <COMPOUND_NUMBER> (1,997)
WAY-611886

>  <BAR_CODE_NO> (1,997)
90445751

>  <LOCATION_CODE> (1,997)
PTNCS

>  <AMOUNT_CURRENT> (1,997)
32.4

$$$$
WAY-611960
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.8833   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -1.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    1.7833    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  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7 14  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  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 16  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  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
 13 12  2  0  0  0  0
 10  9  2  0  0  0  0
  6  5  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,998)
1998

>  <Formula> (1,998)
C14H10N4OS2

>  <MolWeight> (1,998)
314.3854

>  <PCAT_CMPD_ID> (1,998)
WAY-611960

>  <CNC_ID> (1,998)
359347862

>  <transfer_container_id> (1,998)
PTN000000068

>  <COMPOUND_NUMBER> (1,998)
WAY-611960

>  <BAR_CODE_NO> (1,998)
90445825

>  <LOCATION_CODE> (1,998)
PTNCS

>  <AMOUNT_CURRENT> (1,998)
32.7

$$$$
WAY-612005
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.9625   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.2750    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
   -2.5583    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.4583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    2.0875    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  1  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  4  1  0  0  0  0
 10  2  2  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 12  1  0  0  0  0
 15 12  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 11  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
  8  7  2  0  0  0  0
  9 11  2  0  0  0  0
 25 24  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,999)
1999

>  <Formula> (1,999)
C17H14ClN7

>  <MolWeight> (1,999)
351.79296

>  <PCAT_CMPD_ID> (1,999)
WAY-612005

>  <CNC_ID> (1,999)
359347907

>  <transfer_container_id> (1,999)
PTN000000068

>  <COMPOUND_NUMBER> (1,999)
WAY-612005

>  <BAR_CODE_NO> (1,999)
90445870

>  <LOCATION_CODE> (1,999)
PTNCS

>  <AMOUNT_CURRENT> (1,999)
32.6

$$$$
WAY-612093
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0042    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -2.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.9917    0.0000 S   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
    0.4042    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -3.8792    0.0000 N   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 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20  4  1  0  0  0  0
 19 14  1  0  0  0  0
 18 13  1  0  0  0  0
 14 17  1  0  0  0  0
  6  4  2  0  0  0  0
M  END
>  <Mol_ID> (2,000)
2000

>  <Formula> (2,000)
C14H20N4OS

>  <MolWeight> (2,000)
292.3998

>  <PCAT_CMPD_ID> (2,000)
WAY-612093

>  <CNC_ID> (2,000)
359347995

>  <transfer_container_id> (2,000)
PTN000000068

>  <COMPOUND_NUMBER> (2,000)
WAY-612093

>  <BAR_CODE_NO> (2,000)
90445958

>  <LOCATION_CODE> (2,000)
PTNCS

>  <AMOUNT_CURRENT> (2,000)
32.1

$$$$
WAY-612203
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.2000   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -0.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.6167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -2.1750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    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  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  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  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
  5  4  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,001)
2001

>  <Formula> (2,001)
C8H6F2N4S

>  <MolWeight> (2,001)
228.2218464

>  <PCAT_CMPD_ID> (2,001)
WAY-612203

>  <CNC_ID> (2,001)
359348105

>  <transfer_container_id> (2,001)
PTN000000068

>  <COMPOUND_NUMBER> (2,001)
WAY-612203

>  <BAR_CODE_NO> (2,001)
90446073

>  <LOCATION_CODE> (2,001)
PTNCS

>  <AMOUNT_CURRENT> (2,001)
32.2

$$$$
WAY-612219
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.4667   -1.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.4208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7000   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.2500    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  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  4  1  0  0  0  0
  9 12  1  0  0  0  0
 10  7  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  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  9  1  0  0  0  0
 17 15  2  0  0  0  0
 18  3  2  0  0  0  0
 19  9  2  0  0  0  0
 20 26  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23  4  1  0  0  0  0
 24  6  2  0  0  0  0
 25 10  1  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 28  2  0  0  0  0
 30 16  1  0  0  0  0
 20 27  1  0  0  0  0
 29 17  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,002)
2002

>  <Formula> (2,002)
C20H24N2O7S

>  <MolWeight> (2,002)
436.47876

>  <PCAT_CMPD_ID> (2,002)
WAY-612219

>  <CNC_ID> (2,002)
359348121

>  <transfer_container_id> (2,002)
PTN000000068

>  <COMPOUND_NUMBER> (2,002)
WAY-612219

>  <BAR_CODE_NO> (2,002)
90446090

>  <LOCATION_CODE> (2,002)
PTNCS

>  <AMOUNT_CURRENT> (2,002)
32.9

$$$$
WAY-612228
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.5792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.0583    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
    1.8875    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.2542    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
    3.0417   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.0167    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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  2  0  0  0  0
 10  8  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  8  2  0  0  0  0
 15  4  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 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 10  4  1  0  0  0  0
  9  7  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,003)
2003

>  <Formula> (2,003)
C15H16N4O2

>  <MolWeight> (2,003)
284.31314

>  <PCAT_CMPD_ID> (2,003)
WAY-612228

>  <CNC_ID> (2,003)
359348130

>  <transfer_container_id> (2,003)
PTN000000068

>  <COMPOUND_NUMBER> (2,003)
WAY-612228

>  <BAR_CODE_NO> (2,003)
90446099

>  <LOCATION_CODE> (2,003)
PTNCS

>  <AMOUNT_CURRENT> (2,003)
32.8

$$$$
WAY-612276
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.2750    1.2708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -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  7  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  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  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  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 12  2  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 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 25  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
  8  4  1  0  0  0  0
 22 17  2  0  0  0  0
  9 11  2  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,004)
2004

>  <Formula> (2,004)
C19H20N2O4S2

>  <MolWeight> (2,004)
404.5031

>  <PCAT_CMPD_ID> (2,004)
WAY-612276

>  <CNC_ID> (2,004)
359348178

>  <transfer_container_id> (2,004)
PTN000000068

>  <COMPOUND_NUMBER> (2,004)
WAY-612276

>  <BAR_CODE_NO> (2,004)
90446149

>  <LOCATION_CODE> (2,004)
PTNCS

>  <AMOUNT_CURRENT> (2,004)
33

$$$$
WAY-612352
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.6667    0.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    0.6583    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
    3.0792    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.6042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  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  1  1  0  0  0  0
 10  9  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 19  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 11  2  0  0  0  0
 19 17  2  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  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 23  1  0  0  0  0
 30 22  1  0  0  0  0
 31 27  2  0  0  0  0
 32 26  2  0  0  0  0
 21 30  1  0  0  0  0
 14  5  2  0  0  0  0
  7  6  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,005)
2005

>  <Formula> (2,005)
C21H19ClN2O7S

>  <MolWeight> (2,005)
478.90276

>  <PCAT_CMPD_ID> (2,005)
WAY-612352

>  <CNC_ID> (2,005)
359348254

>  <transfer_container_id> (2,005)
PTN000000068

>  <COMPOUND_NUMBER> (2,005)
WAY-612352

>  <BAR_CODE_NO> (2,005)
90446228

>  <LOCATION_CODE> (2,005)
PTNCS

>  <AMOUNT_CURRENT> (2,005)
32.7

$$$$
WAY-612430
csChFnd80/11182011152D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -0.6708    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250   -0.7917    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  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  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13 18  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  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  8  1  0  0  0  0
 21 10  1  0  0  0  0
 22  9  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
 25 21  2  0  0  0  0
 26 23  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 22 26  2  0  0  0  0
 25 24  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,006)
2006

>  <Formula> (2,006)
C20H14N4O2

>  <MolWeight> (2,006)
342.35076

>  <PCAT_CMPD_ID> (2,006)
WAY-612430

>  <CNC_ID> (2,006)
359348332

>  <transfer_container_id> (2,006)
PTN000000068

>  <COMPOUND_NUMBER> (2,006)
WAY-612430

>  <BAR_CODE_NO> (2,006)
90446308

>  <LOCATION_CODE> (2,006)
PTNCS

>  <AMOUNT_CURRENT> (2,006)
32.5

$$$$
WAY-612440
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.8708   -1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -2.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    2.5375    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  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 13  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  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  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
  4  5  2  0  0  0  0
  8 14  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,007)
2007

>  <Formula> (2,007)
C17H14N2O3

>  <MolWeight> (2,007)
294.30466

>  <PCAT_CMPD_ID> (2,007)
WAY-612440

>  <CNC_ID> (2,007)
359348342

>  <transfer_container_id> (2,007)
PTN000000068

>  <COMPOUND_NUMBER> (2,007)
WAY-612440

>  <BAR_CODE_NO> (2,007)
90446318

>  <LOCATION_CODE> (2,007)
PTNCS

>  <AMOUNT_CURRENT> (2,007)
32.3

$$$$
WAY-612625
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.6458    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    3.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.9833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -4.5542    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 14  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  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 20  1  0  0  0  0
 24 13  1  0  0  0  0
  3  2  1  0  0  0  0
 21 19  2  0  0  0  0
  8 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,008)
2008

>  <Formula> (2,008)
C16H12FN3O3S

>  <MolWeight> (2,008)
345.3481832

>  <PCAT_CMPD_ID> (2,008)
WAY-612625

>  <CNC_ID> (2,008)
359348527

>  <transfer_container_id> (2,008)
PTN000000068

>  <COMPOUND_NUMBER> (2,008)
WAY-612625

>  <BAR_CODE_NO> (2,008)
90446508

>  <LOCATION_CODE> (2,008)
PTNCS

>  <AMOUNT_CURRENT> (2,008)
32.3

$$$$
WAY-612628
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.6458    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    3.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.9833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -4.5542    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 14  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  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 20  1  0  0  0  0
 24 13  1  0  0  0  0
  3  2  1  0  0  0  0
 21 19  2  0  0  0  0
  8 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,009)
2009

>  <Formula> (2,009)
C16H12ClN3O3S

>  <MolWeight> (2,009)
361.80278

>  <PCAT_CMPD_ID> (2,009)
WAY-612628

>  <CNC_ID> (2,009)
359348530

>  <transfer_container_id> (2,009)
PTN000000068

>  <COMPOUND_NUMBER> (2,009)
WAY-612628

>  <BAR_CODE_NO> (2,009)
90446511

>  <LOCATION_CODE> (2,009)
PTNCS

>  <AMOUNT_CURRENT> (2,009)
32.4

$$$$
WAY-612666
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.6667   -0.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4125   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  2  2  0  0  0  0
 10  4  2  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  8  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  2  0  0  0  0
 20 16  2  0  0  0  0
 21 15  1  0  0  0  0
 22 18  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 24  1  0  0  0  0
  3  5  1  0  0  0  0
 23 21  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,010)
2010

>  <Formula> (2,010)
C21H22N2O3

>  <MolWeight> (2,010)
350.41098

>  <PCAT_CMPD_ID> (2,010)
WAY-612666

>  <CNC_ID> (2,010)
359348568

>  <transfer_container_id> (2,010)
PTN000000068

>  <COMPOUND_NUMBER> (2,010)
WAY-612666

>  <BAR_CODE_NO> (2,010)
90446550

>  <LOCATION_CODE> (2,010)
PTNCS

>  <AMOUNT_CURRENT> (2,010)
32.2

$$$$
WAY-612694
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.0333   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.3042    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
    1.4167    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.9167    0.0000 O   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
   -1.7583    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    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  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  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 11 13  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  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 15  2  0  0  0  0
 20 18  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
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,011)
2011

>  <Formula> (2,011)
C16H14N4O2

>  <MolWeight> (2,011)
294.30796

>  <PCAT_CMPD_ID> (2,011)
WAY-612694

>  <CNC_ID> (2,011)
359348596

>  <transfer_container_id> (2,011)
PTN000000068

>  <COMPOUND_NUMBER> (2,011)
WAY-612694

>  <BAR_CODE_NO> (2,011)
90446580

>  <LOCATION_CODE> (2,011)
PTNCS

>  <AMOUNT_CURRENT> (2,011)
32.5

$$$$
WAY-612697
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.9375   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.5500    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
   -2.3958    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -0.7042    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
    0.1125   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250    0.5333    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  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  3  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  9  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 12  1  0  0  0  0
 17  4  2  0  0  0  0
 18  6  2  0  0  0  0
 19 14  2  0  0  0  0
 20  2  1  0  0  0  0
 21 14  1  0  0  0  0
 22 25  1  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 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 23  2  0  0  0  0
 30 24  2  0  0  0  0
 13  8  1  0  0  0  0
  5  4  1  0  0  0  0
 15 16  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,012)
2012

>  <Formula> (2,012)
C21H19N3O6

>  <MolWeight> (2,012)
409.39206

>  <PCAT_CMPD_ID> (2,012)
WAY-612697

>  <CNC_ID> (2,012)
359348599

>  <transfer_container_id> (2,012)
PTN000000068

>  <COMPOUND_NUMBER> (2,012)
WAY-612697

>  <BAR_CODE_NO> (2,012)
90446583

>  <LOCATION_CODE> (2,012)
PTNCS

>  <AMOUNT_CURRENT> (2,012)
32.9

$$$$
WAY-612789
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.9417   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.4833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.2667    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
    2.7542   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  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  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  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  3  2  0  0  0  0
 16  6  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  6  1  0  0  0  0
 21  5  1  0  0  0  0
 22  2  1  0  0  0  0
 23 21  1  0  0  0  0
 24  7  1  0  0  0  0
 25 23  2  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
 29 26  2  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 19  9  1  0  0  0  0
 11 18  1  0  0  0  0
 17  9  1  0  0  0  0
 27 22  2  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,013)
2013

>  <Formula> (2,013)
C26H30N2O2S

>  <MolWeight> (2,013)
434.5936

>  <PCAT_CMPD_ID> (2,013)
WAY-612789

>  <CNC_ID> (2,013)
359348690

>  <transfer_container_id> (2,013)
PTN000000068

>  <COMPOUND_NUMBER> (2,013)
WAY-612789

>  <BAR_CODE_NO> (2,013)
90446677

>  <LOCATION_CODE> (2,013)
PTNCS

>  <AMOUNT_CURRENT> (2,013)
32.7

$$$$
WAY-612878
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
    0.8167   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3 12  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  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  1  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  4  1  0  0  0  0
 16  7  2  0  0  0  0
 17  5  1  0  0  0  0
 18 11  2  0  0  0  0
 19 21  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  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 17  2  0  0  0  0
 27 20  2  0  0  0  0
 28 22  2  0  0  0  0
 29 27  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
  2  5  1  0  0  0  0
 23 19  2  0  0  0  0
 32 31  1  0  0  0  0
 14  9  1  0  0  0  0
 29 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,014)
2014

>  <Formula> (2,014)
C23H16N6O3

>  <MolWeight> (2,014)
424.41154

>  <PCAT_CMPD_ID> (2,014)
WAY-612878

>  <CNC_ID> (2,014)
359348779

>  <transfer_container_id> (2,014)
PTN000000068

>  <COMPOUND_NUMBER> (2,014)
WAY-612878

>  <BAR_CODE_NO> (2,014)
90446769

>  <LOCATION_CODE> (2,014)
PTNCS

>  <AMOUNT_CURRENT> (2,014)
32.5

$$$$
WAY-612900
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.5417    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    2.8833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2458    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -2.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.3292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -3.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.4708    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
   -1.7083   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -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  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 10  2  0  0  0  0
  9  7  1  0  0  0  0
 10 14  1  0  0  0  0
 11  4  1  0  0  0  0
 12 15  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  2  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20  5  1  0  0  0  0
 21 10  1  0  0  0  0
 22  8  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  5  6  1  0  0  0  0
 24 20  2  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,015)
2015

>  <Formula> (2,015)
C19H18F2N2O3

>  <MolWeight> (2,015)
360.3546264

>  <PCAT_CMPD_ID> (2,015)
WAY-612900

>  <CNC_ID> (2,015)
359348801

>  <transfer_container_id> (2,015)
PTN000000068

>  <COMPOUND_NUMBER> (2,015)
WAY-612900

>  <BAR_CODE_NO> (2,015)
90446791

>  <LOCATION_CODE> (2,015)
PTNCS

>  <AMOUNT_CURRENT> (2,015)
32.5

$$$$
WAY-612932
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.7542   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.0667    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
    1.0375   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    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 14  2  0  0  0  0
  6  1  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  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  3  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  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  6  1  0  0  0  0
 20 14  1  0  0  0  0
 21  2  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  9 15  2  0  0  0  0
 24 22  2  0  0  0  0
  8  4  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,016)
2016

>  <Formula> (2,016)
C17H13N3O3S

>  <MolWeight> (2,016)
339.36842

>  <PCAT_CMPD_ID> (2,016)
WAY-612932

>  <CNC_ID> (2,016)
359348833

>  <transfer_container_id> (2,016)
PTN000000068

>  <COMPOUND_NUMBER> (2,016)
WAY-612932

>  <BAR_CODE_NO> (2,016)
90446823

>  <LOCATION_CODE> (2,016)
PTNCS

>  <AMOUNT_CURRENT> (2,016)
32.5

$$$$
WAY-612940
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.1208   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    3.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.3333    0.0000 C   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
    0.1792    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -3.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -2.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -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  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  2  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  1  1  0  0  0  0
 12  6  1  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 11  2  0  0  0  0
 17  2  1  0  0  0  0
 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
  3  4  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,017)
2017

>  <Formula> (2,017)
C16H20N2O5

>  <MolWeight> (2,017)
320.3404

>  <PCAT_CMPD_ID> (2,017)
WAY-612940

>  <CNC_ID> (2,017)
359348841

>  <transfer_container_id> (2,017)
PTN000000068

>  <COMPOUND_NUMBER> (2,017)
WAY-612940

>  <BAR_CODE_NO> (2,017)
90446831

>  <LOCATION_CODE> (2,017)
PTNCS

>  <AMOUNT_CURRENT> (2,017)
32.6

$$$$
WAY-612994
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5333    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2958    0.0000    0.0000 O   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
   -0.2333    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -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  4  1  0  0  0  0
  4 10  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  7  1  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  7  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 16  2  0  0  0  0
 12 11  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,018)
2018

>  <Formula> (2,018)
C13H16N2OS2

>  <MolWeight> (2,018)
280.40894

>  <PCAT_CMPD_ID> (2,018)
WAY-612994

>  <CNC_ID> (2,018)
359348895

>  <transfer_container_id> (2,018)
PTN000000068

>  <COMPOUND_NUMBER> (2,018)
WAY-612994

>  <BAR_CODE_NO> (2,018)
90446885

>  <LOCATION_CODE> (2,018)
PTNCS

>  <AMOUNT_CURRENT> (2,018)
32.9

$$$$
WAY-612997
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.7917   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.2375    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
   -0.0333   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.4333    0.0000 S   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
    2.0667    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.9500    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  5  1  0  0  0  0
  5  1  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  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13  2  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  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 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 11  8  2  0  0  0  0
  3 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,019)
2019

>  <Formula> (2,019)
C15H19N3O3S2

>  <MolWeight> (2,019)
353.45966

>  <PCAT_CMPD_ID> (2,019)
WAY-612997

>  <CNC_ID> (2,019)
359348898

>  <transfer_container_id> (2,019)
PTN000000068

>  <COMPOUND_NUMBER> (2,019)
WAY-612997

>  <BAR_CODE_NO> (2,019)
90446888

>  <LOCATION_CODE> (2,019)
PTNCS

>  <AMOUNT_CURRENT> (2,019)
32.5

$$$$
WAY-613011
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.6393    0.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2268   -0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    0.0887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2185    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4565    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435    0.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560    1.0262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4393    0.8054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -0.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0065   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4560   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232    1.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940   -1.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -0.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2190   -0.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440   -1.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1065   -1.2613    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  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 16  2  0  0  0  0
  3  5  1  0  0  0  0
 10  8  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,020)
2020

>  <Formula> (2,020)
C14H13N3O

>  <MolWeight> (2,020)
239.27252

>  <PCAT_CMPD_ID> (2,020)
WAY-613011

>  <CNC_ID> (2,020)
359348912

>  <transfer_container_id> (2,020)
PTN000000068

>  <COMPOUND_NUMBER> (2,020)
WAY-613011

>  <BAR_CODE_NO> (2,020)
90446902

>  <LOCATION_CODE> (2,020)
PTNCS

>  <AMOUNT_CURRENT> (2,020)
32.7

$$$$
WAY-613014
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4458   -0.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.1775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4959    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   -1.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417    0.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5542    0.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8584   -0.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4834    1.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9209    0.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667   -0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2833   -0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6458    0.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7709    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292    2.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9292   -1.0225    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  4  2  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 17  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  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 14  1  0  0  0  0
 23 16  1  0  0  0  0
  7  3  2  0  0  0  0
 20 18  2  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,021)
2021

>  <Formula> (2,021)
C19H20N2O2

>  <MolWeight> (2,021)
308.3743

>  <PCAT_CMPD_ID> (2,021)
WAY-613014

>  <CNC_ID> (2,021)
359348915

>  <transfer_container_id> (2,021)
PTN000000068

>  <COMPOUND_NUMBER> (2,021)
WAY-613014

>  <BAR_CODE_NO> (2,021)
90446905

>  <LOCATION_CODE> (2,021)
PTNCS

>  <AMOUNT_CURRENT> (2,021)
32.9

$$$$
WAY-613033
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.5542   -4.0042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -4.4250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -4.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.5375    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
   -3.8750    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    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  9  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  1  0  0  0  0
  8 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 16  2  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 15  1  0  0  0  0
 15 19  2  0  0  0  0
 16 18  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  2  1  0  0  0  0
 21 20  2  0  0  0  0
 22  8  1  0  0  0  0
 23 21  1  0  0  0  0
 24 14  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
 23 18  2  0  0  0  0
 14  8  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,022)
2022

>  <Formula> (2,022)
C19H15N3O4

>  <MolWeight> (2,022)
349.3401

>  <PCAT_CMPD_ID> (2,022)
WAY-613033

>  <CNC_ID> (2,022)
359348934

>  <transfer_container_id> (2,022)
PTN000000068

>  <COMPOUND_NUMBER> (2,022)
WAY-613033

>  <BAR_CODE_NO> (2,022)
90446926

>  <LOCATION_CODE> (2,022)
PTNCS

>  <AMOUNT_CURRENT> (2,022)
33

$$$$
WAY-613096
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.8542   -2.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.2250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.5208    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
   -2.1708    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.3292    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  4  2  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  2  0  0  0  0
  9 23  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 19  1  0  0  0  0
 14 12  2  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  7  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 18  1  0  0  0  0
 23 22  1  0  0  0  0
 24 12  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  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
 13  2  2  0  0  0  0
 32 31  1  0  0  0  0
 14  6  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,023)
2023

>  <Formula> (2,023)
C24H22ClN3O3S

>  <MolWeight> (2,023)
467.96778

>  <PCAT_CMPD_ID> (2,023)
WAY-613096

>  <CNC_ID> (2,023)
359348997

>  <transfer_container_id> (2,023)
PTN000000068

>  <COMPOUND_NUMBER> (2,023)
WAY-613096

>  <BAR_CODE_NO> (2,023)
90446990

>  <LOCATION_CODE> (2,023)
PTNCS

>  <AMOUNT_CURRENT> (2,023)
32.6

$$$$
WAY-627922
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.6542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    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  6  1  0  0  0  0
  4  3  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  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  2  0  0  0  0
 11 17  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  5  1  0  0  0  0
 16  4  1  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 22  1  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
 11 18  1  0  0  0  0
 21 15  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,024)
2024

>  <Formula> (2,024)
C20H21NO4

>  <MolWeight> (2,024)
339.38504

>  <PCAT_CMPD_ID> (2,024)
WAY-627922

>  <CNC_ID> (2,024)
359349072

>  <transfer_container_id> (2,024)
PTN000000068

>  <COMPOUND_NUMBER> (2,024)
WAY-627922

>  <BAR_CODE_NO> (2,024)
90462161

>  <LOCATION_CODE> (2,024)
PTNCS

>  <AMOUNT_CURRENT> (2,024)
32.9

$$$$
WAY-627925
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.4125    1.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.5458    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
    0.7042   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -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  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  4  2  0  0  0  0
 10  6  1  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 16  1  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 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  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 18  2  0  0  0  0
 25 20  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
  9  5  1  0  0  0  0
 13 12  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,025)
2025

>  <Formula> (2,025)
C21H26N6O

>  <MolWeight> (2,025)
378.47074

>  <PCAT_CMPD_ID> (2,025)
WAY-627925

>  <CNC_ID> (2,025)
359349075

>  <transfer_container_id> (2,025)
PTN000000068

>  <COMPOUND_NUMBER> (2,025)
WAY-627925

>  <BAR_CODE_NO> (2,025)
90462164

>  <LOCATION_CODE> (2,025)
PTNCS

>  <AMOUNT_CURRENT> (2,025)
32.8

$$$$
WAY-627929
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.1333    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -2.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7542   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.0917    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  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 12  1  0  0  0  0
 10  4  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  7  2  0  0  0  0
 15 13  2  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 10  1  0  0  0  0
 20 13  1  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 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 10  5  1  0  0  0  0
 15 14  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,026)
2026

>  <Formula> (2,026)
C19H28N6O

>  <MolWeight> (2,026)
356.46522

>  <PCAT_CMPD_ID> (2,026)
WAY-627929

>  <CNC_ID> (2,026)
359349079

>  <transfer_container_id> (2,026)
PTN000000068

>  <COMPOUND_NUMBER> (2,026)
WAY-627929

>  <BAR_CODE_NO> (2,026)
90462168

>  <LOCATION_CODE> (2,026)
PTNCS

>  <AMOUNT_CURRENT> (2,026)
32.2

$$$$
WAY-627930
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.2708    1.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    2.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.2250    0.0000 N   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
    1.0000    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1042   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -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  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 16  1  0  0  0  0
 14 11  2  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 17  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 22 18  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 22  2  0  0  0  0
 27 25  2  0  0  0  0
  9  5  1  0  0  0  0
 14 12  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,027)
2027

>  <Formula> (2,027)
C20H24N6O

>  <MolWeight> (2,027)
364.44416

>  <PCAT_CMPD_ID> (2,027)
WAY-627930

>  <CNC_ID> (2,027)
359349080

>  <transfer_container_id> (2,027)
PTN000000068

>  <COMPOUND_NUMBER> (2,027)
WAY-627930

>  <BAR_CODE_NO> (2,027)
90462169

>  <LOCATION_CODE> (2,027)
PTNCS

>  <AMOUNT_CURRENT> (2,027)
32.8

$$$$
WAY-627937
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.2833   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    0.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.9792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833   -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  1  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 11  1  0  0  0  0
 10  5  1  0  0  0  0
 11 19  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  5  2  0  0  0  0
 19 12  1  0  0  0  0
 20 10  2  0  0  0  0
 21  6  2  0  0  0  0
 22 11  2  0  0  0  0
 23  3  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26  4  1  0  0  0  0
 27  8  1  0  0  0  0
 28 26  2  0  0  0  0
 29 27  2  0  0  0  0
  4  8  2  0  0  0  0
 28 29  1  0  0  0  0
  7 14  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,028)
2028

>  <Formula> (2,028)
C20H17ClN2O5S

>  <MolWeight> (2,028)
432.87738

>  <PCAT_CMPD_ID> (2,028)
WAY-627937

>  <CNC_ID> (2,028)
359349087

>  <transfer_container_id> (2,028)
PTN000000068

>  <COMPOUND_NUMBER> (2,028)
WAY-627937

>  <BAR_CODE_NO> (2,028)
90462176

>  <LOCATION_CODE> (2,028)
PTNCS

>  <AMOUNT_CURRENT> (2,028)
32.1

$$$$
WAY-627938
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0292    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -3.4167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4667   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    2.2708    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
    2.2125   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    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  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  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 14  1  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 12  1  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  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
 23 19  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
  9  7  1  0  0  0  0
 13 11  2  0  0  0  0
 26 25  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,029)
2029

>  <Formula> (2,029)
C19H23N5OS

>  <MolWeight> (2,029)
369.48382

>  <PCAT_CMPD_ID> (2,029)
WAY-627938

>  <CNC_ID> (2,029)
359349088

>  <transfer_container_id> (2,029)
PTN000000068

>  <COMPOUND_NUMBER> (2,029)
WAY-627938

>  <BAR_CODE_NO> (2,029)
90462177

>  <LOCATION_CODE> (2,029)
PTNCS

>  <AMOUNT_CURRENT> (2,029)
32.5

$$$$
WAY-627939
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.7375   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.4083    0.0000 N   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
    0.7792   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    1.7458    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
   -1.1750    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    2.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.2875    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
    1.5625   -2.9875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.4792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -3.5167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  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  5  1  0  0  0  0
  8  2  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  8  2  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15 24  1  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 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23  4  1  0  0  0  0
 24 20  2  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27 18  1  0  0  0  0
 17 13  2  0  0  0  0
 12  6  1  0  0  0  0
 15 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,030)
2030

>  <Formula> (2,030)
C18H16F3N5O

>  <MolWeight> (2,030)
375.3477496

>  <PCAT_CMPD_ID> (2,030)
WAY-627939

>  <CNC_ID> (2,030)
359349089

>  <transfer_container_id> (2,030)
PTN000000068

>  <COMPOUND_NUMBER> (2,030)
WAY-627939

>  <BAR_CODE_NO> (2,030)
90462178

>  <LOCATION_CODE> (2,030)
PTNCS

>  <AMOUNT_CURRENT> (2,030)
32.6

$$$$
WAY-627947
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.6250   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.2958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -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  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  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11 20  1  0  0  0  0
 12  7  2  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 12  1  0  0  0  0
 17 14  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  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
  4  5  2  0  0  0  0
 14 16  2  0  0  0  0
 26 25  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,031)
2031

>  <Formula> (2,031)
C20H21FN4O

>  <MolWeight> (2,031)
352.4053432

>  <PCAT_CMPD_ID> (2,031)
WAY-627947

>  <CNC_ID> (2,031)
359349097

>  <transfer_container_id> (2,031)
PTN000000068

>  <COMPOUND_NUMBER> (2,031)
WAY-627947

>  <BAR_CODE_NO> (2,031)
90462186

>  <LOCATION_CODE> (2,031)
PTNCS

>  <AMOUNT_CURRENT> (2,031)
32.3

$$$$
WAY-627974
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.1500   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -1.2250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9292   -1.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    1.7958    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.1792    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
    1.6000   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    2.2833    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -3.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.4833    0.0000 C   0  0  0  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 10  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 12  1  0  0  0  0
 11  4  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  6  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18  2  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  1  0  0  0  0
 21 23  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  2  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 26  1  0  0  0  0
  5  4  1  0  0  0  0
 21 10  2  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,032)
2032

>  <Formula> (2,032)
C19H18N4O5

>  <MolWeight> (2,032)
382.37002

>  <PCAT_CMPD_ID> (2,032)
WAY-627974

>  <CNC_ID> (2,032)
359349124

>  <transfer_container_id> (2,032)
PTN000000068

>  <COMPOUND_NUMBER> (2,032)
WAY-627974

>  <BAR_CODE_NO> (2,032)
90462213

>  <LOCATION_CODE> (2,032)
PTNCS

>  <AMOUNT_CURRENT> (2,032)
32.6

$$$$
WAY-627979
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2250   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    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  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  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  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  6  1  0  0  0  0
 14  9  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 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  7  8  2  0  0  0  0
  3  6  2  0  0  0  0
 10 15  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,033)
2033

>  <Formula> (2,033)
C17H15N3O

>  <MolWeight> (2,033)
277.3205

>  <PCAT_CMPD_ID> (2,033)
WAY-627979

>  <CNC_ID> (2,033)
359349129

>  <transfer_container_id> (2,033)
PTN000000068

>  <COMPOUND_NUMBER> (2,033)
WAY-627979

>  <BAR_CODE_NO> (2,033)
90462219

>  <LOCATION_CODE> (2,033)
PTNCS

>  <AMOUNT_CURRENT> (2,033)
32.4

$$$$
WAY-627982
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.7375    4.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.5458    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
   -1.2208    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.1458    0.0000 C   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
    0.4500   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  1  0  0  0  0
  3 11  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  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  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  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
  8  4  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,034)
2034

>  <Formula> (2,034)
C15H21NO3S

>  <MolWeight> (2,034)
295.39714

>  <PCAT_CMPD_ID> (2,034)
WAY-627982

>  <CNC_ID> (2,034)
359349132

>  <transfer_container_id> (2,034)
PTN000000068

>  <COMPOUND_NUMBER> (2,034)
WAY-627982

>  <BAR_CODE_NO> (2,034)
90462222

>  <LOCATION_CODE> (2,034)
PTNCS

>  <AMOUNT_CURRENT> (2,034)
32.9

$$$$
WAY-628009
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.3625    2.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -2.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    3.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.1792    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  2  1  0  0  0  0
  5 11  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  8  2  0  0  0  0
 10  1  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  5  2  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 20  2  0  0  0  0
 19  4  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  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
 21 18  1  0  0  0  0
 24 25  1  0  0  0  0
  7  4  1  0  0  0  0
M  END
>  <Mol_ID> (2,035)
2035

>  <Formula> (2,035)
C16H18N4O4S

>  <MolWeight> (2,035)
362.40352

>  <PCAT_CMPD_ID> (2,035)
WAY-628009

>  <CNC_ID> (2,035)
359349159

>  <transfer_container_id> (2,035)
PTN000000068

>  <COMPOUND_NUMBER> (2,035)
WAY-628009

>  <BAR_CODE_NO> (2,035)
90462249

>  <LOCATION_CODE> (2,035)
PTNCS

>  <AMOUNT_CURRENT> (2,035)
32.3

$$$$
WAY-628052
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7125    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.6083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -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  2  0  0  0  0
  5  6  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  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  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 10  2  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 17  2  0  0  0  0
  7  4  1  0  0  0  0
 16 11  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,036)
2036

>  <Formula> (2,036)
C17H15NO

>  <MolWeight> (2,036)
249.3071

>  <PCAT_CMPD_ID> (2,036)
WAY-628052

>  <CNC_ID> (2,036)
359349202

>  <transfer_container_id> (2,036)
PTN000000068

>  <COMPOUND_NUMBER> (2,036)
WAY-628052

>  <BAR_CODE_NO> (2,036)
90462292

>  <LOCATION_CODE> (2,036)
PTNCS

>  <AMOUNT_CURRENT> (2,036)
32.6

$$$$
WAY-628058
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.8833    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1708    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7583    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.8458    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
    1.3042    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  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  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  2  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  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  1  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
  3  2  1  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,037)
2037

>  <Formula> (2,037)
C14H20N2O4

>  <MolWeight> (2,037)
280.3196

>  <PCAT_CMPD_ID> (2,037)
WAY-628058

>  <CNC_ID> (2,037)
359349208

>  <transfer_container_id> (2,037)
PTN000000068

>  <COMPOUND_NUMBER> (2,037)
WAY-628058

>  <BAR_CODE_NO> (2,037)
90462299

>  <LOCATION_CODE> (2,037)
PTNCS

>  <AMOUNT_CURRENT> (2,037)
32.3

$$$$
WAY-628080
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1875    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.9250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -3.8792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.1125    0.0000 C   0  0  0  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  1  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  3  1  0  0  0  0
 11 20  2  0  0  0  0
 12  4  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  8  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
 14 15  1  0  0  0  0
 16 14  1  0  0  0  0
 19 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,038)
2038

>  <Formula> (2,038)
C15H17F2NOS

>  <MolWeight> (2,038)
297.3633864

>  <PCAT_CMPD_ID> (2,038)
WAY-628080

>  <CNC_ID> (2,038)
359349230

>  <transfer_container_id> (2,038)
PTN000000068

>  <COMPOUND_NUMBER> (2,038)
WAY-628080

>  <BAR_CODE_NO> (2,038)
90462322

>  <LOCATION_CODE> (2,038)
PTNCS

>  <AMOUNT_CURRENT> (2,038)
32.3

$$$$
WAY-628091
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3083    2.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0708   -3.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.7042    0.0000 S   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
   -0.6500   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.2292    0.0000 O   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
   -0.6083    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    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  7  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 15  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  8  3  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  2  0  0  0  0
 16  7  2  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 19 15  1  0  0  0  0
 24 25  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,039)
2039

>  <Formula> (2,039)
C17H17N3O3S2

>  <MolWeight> (2,039)
375.46518

>  <PCAT_CMPD_ID> (2,039)
WAY-628091

>  <CNC_ID> (2,039)
359349241

>  <transfer_container_id> (2,039)
PTN000000068

>  <COMPOUND_NUMBER> (2,039)
WAY-628091

>  <BAR_CODE_NO> (2,039)
90462336

>  <LOCATION_CODE> (2,039)
PTNCS

>  <AMOUNT_CURRENT> (2,039)
32.6

$$$$
WAY-628095
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.4208    2.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.3458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0292    2.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.9792    0.0000 C   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
   -0.8958    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -3.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -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  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 10  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  9  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 11  1  0  0  0  0
 18 17  1  0  0  0  0
  4  5  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,040)
2040

>  <Formula> (2,040)
C13H16N2O3

>  <MolWeight> (2,040)
248.27774

>  <PCAT_CMPD_ID> (2,040)
WAY-628095

>  <CNC_ID> (2,040)
359349245

>  <transfer_container_id> (2,040)
PTN000000068

>  <COMPOUND_NUMBER> (2,040)
WAY-628095

>  <BAR_CODE_NO> (2,040)
90462340

>  <LOCATION_CODE> (2,040)
PTNCS

>  <AMOUNT_CURRENT> (2,040)
33

$$$$
WAY-628107
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3756    0.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590    0.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382   -1.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -0.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382    0.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590   -0.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382    2.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4798    0.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6452    0.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6619    1.4889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4965    1.4889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6452   -1.5695    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756    2.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3007    2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6298    3.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882    3.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4798   -1.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6619   -1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6410   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618   -1.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6410   -2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618   -3.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577   -2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  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  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  3  0  0  0  0
 11  8  3  0  0  0  0
 12  4  1  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 14  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  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 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  3  6  1  0  0  0  0
 16 15  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,041)
2041

>  <Formula> (2,041)
C18H12N4OS

>  <MolWeight> (2,041)
332.37908

>  <PCAT_CMPD_ID> (2,041)
WAY-628107

>  <CNC_ID> (2,041)
359349257

>  <transfer_container_id> (2,041)
PTN000000068

>  <COMPOUND_NUMBER> (2,041)
WAY-628107

>  <BAR_CODE_NO> (2,041)
90462352

>  <LOCATION_CODE> (2,041)
PTNCS

>  <AMOUNT_CURRENT> (2,041)
32.5

$$$$
WAY-628112
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9694   -0.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -2.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418   -0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177   -0.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418   -2.4056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177   -2.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866   -1.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9616   -0.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -3.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9616   -2.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   -1.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    1.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108    0.7151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513   -0.3814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211    2.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9720    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    3.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9272    1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9858    1.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1651    2.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9030    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2616    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375    1.5048    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
  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
 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  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
  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> (2,042)
2042

>  <Formula> (2,042)
C18H17NO5

>  <MolWeight> (2,042)
327.33128

>  <PCAT_CMPD_ID> (2,042)
WAY-628112

>  <CNC_ID> (2,042)
359349262

>  <transfer_container_id> (2,042)
PTN000000068

>  <COMPOUND_NUMBER> (2,042)
WAY-628112

>  <BAR_CODE_NO> (2,042)
90462357

>  <LOCATION_CODE> (2,042)
PTNCS

>  <AMOUNT_CURRENT> (2,042)
32.5

$$$$
WAY-628119
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.1208    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    2.3333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8875    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    3.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -3.7000    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 11  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  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11 14  1  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  2  1  0  0  0  0
 16 18  2  0  0  0  0
 17  6  1  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
 17 15  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,043)
2043

>  <Formula> (2,043)
C14H13FO5

>  <MolWeight> (2,043)
280.2484232

>  <PCAT_CMPD_ID> (2,043)
WAY-628119

>  <CNC_ID> (2,043)
359349269

>  <transfer_container_id> (2,043)
PTN000000068

>  <COMPOUND_NUMBER> (2,043)
WAY-628119

>  <BAR_CODE_NO> (2,043)
90462365

>  <LOCATION_CODE> (2,043)
PTNCS

>  <AMOUNT_CURRENT> (2,043)
32.8

$$$$
WAY-628123
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.8250    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5333   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -4.6792    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  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  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  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 14  1  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 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 20  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
  5  4  2  0  0  0  0
 12 16  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,044)
2044

>  <Formula> (2,044)
C22H18N2O3

>  <MolWeight> (2,044)
358.38992

>  <PCAT_CMPD_ID> (2,044)
WAY-628123

>  <CNC_ID> (2,044)
359349273

>  <transfer_container_id> (2,044)
PTN000000068

>  <COMPOUND_NUMBER> (2,044)
WAY-628123

>  <BAR_CODE_NO> (2,044)
90462369

>  <LOCATION_CODE> (2,044)
PTNCS

>  <AMOUNT_CURRENT> (2,044)
33

$$$$
WAY-628153
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.4917   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2750    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.4375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    3.4583    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  7  2  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  5  2  0  0  0  0
  9 11  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  3  1  0  0  0  0
 14  2  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  7  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  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  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 10  8  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,045)
2045

>  <Formula> (2,045)
C18H19ClN4O3

>  <MolWeight> (2,045)
374.82146

>  <PCAT_CMPD_ID> (2,045)
WAY-628153

>  <CNC_ID> (2,045)
359349303

>  <transfer_container_id> (2,045)
PTN000000068

>  <COMPOUND_NUMBER> (2,045)
WAY-628153

>  <BAR_CODE_NO> (2,045)
90462399

>  <LOCATION_CODE> (2,045)
PTNCS

>  <AMOUNT_CURRENT> (2,045)
32.6

$$$$
WAY-628167
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.2292   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.6792    0.0000 C   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
   -0.9208    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1083    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    3.5708    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  9  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  2  2  0  0  0  0
 12 17  1  0  0  0  0
 13  6  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 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 15  4  1  0  0  0  0
  6 14  1  0  0  0  0
 13  4  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,046)
2046

>  <Formula> (2,046)
C16H26N2O2

>  <MolWeight> (2,046)
278.38984

>  <PCAT_CMPD_ID> (2,046)
WAY-628167

>  <CNC_ID> (2,046)
359349317

>  <transfer_container_id> (2,046)
PTN000000068

>  <COMPOUND_NUMBER> (2,046)
WAY-628167

>  <BAR_CODE_NO> (2,046)
90462413

>  <LOCATION_CODE> (2,046)
PTNCS

>  <AMOUNT_CURRENT> (2,046)
32.4

$$$$
WAY-628185
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.2958    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.1667    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
   -1.0083    2.3083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1375   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.2458    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
    3.9917   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -0.9917    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  2  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  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  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 10  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  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
  3  4  2  0  0  0  0
 27 24  2  0  0  0  0
 19 20  2  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,047)
2047

>  <Formula> (2,047)
C21H17NO5

>  <MolWeight> (2,047)
363.36338

>  <PCAT_CMPD_ID> (2,047)
WAY-628185

>  <CNC_ID> (2,047)
359349335

>  <transfer_container_id> (2,047)
PTN000000068

>  <COMPOUND_NUMBER> (2,047)
WAY-628185

>  <BAR_CODE_NO> (2,047)
90462431

>  <LOCATION_CODE> (2,047)
PTNCS

>  <AMOUNT_CURRENT> (2,047)
32.7

$$$$
WAY-628224
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
    1.5588   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037    0.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3213    0.2318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9838   -1.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9671    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7412    0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7329   -0.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3338   -1.1932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9162   -0.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9162    0.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0787    0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921    0.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4787    1.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2912    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412    0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046   -0.4432    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 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  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  3  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  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 14  1  0  0  0  0
 18 19  1  0  0  0  0
 16  9  1  0  0  0  0
 15  7  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,048)
2048

>  <Formula> (2,048)
C15H21NO3

>  <MolWeight> (2,048)
263.33214

>  <PCAT_CMPD_ID> (2,048)
WAY-628224

>  <CNC_ID> (2,048)
359349374

>  <transfer_container_id> (2,048)
PTN000000068

>  <COMPOUND_NUMBER> (2,048)
WAY-628224

>  <BAR_CODE_NO> (2,048)
90462471

>  <LOCATION_CODE> (2,048)
PTNCS

>  <AMOUNT_CURRENT> (2,048)
32.4

$$$$
WAY-628285
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.4241    0.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    1.6662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759    0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759   -0.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1284   -0.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9111    1.9474    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759    0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759   -1.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1301    0.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3778    2.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3240   -0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6244    0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3214   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241    0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9221   -0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6191   -2.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241   -0.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9195   -1.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
 11  1  1  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  3  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
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  2  0  0  0  0
 12 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
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,049)
2049

>  <Formula> (2,049)
C15H15NO2S

>  <MolWeight> (2,049)
273.3501

>  <PCAT_CMPD_ID> (2,049)
WAY-628285

>  <CNC_ID> (2,049)
359349435

>  <transfer_container_id> (2,049)
PTN000000068

>  <COMPOUND_NUMBER> (2,049)
WAY-628285

>  <BAR_CODE_NO> (2,049)
90462533

>  <LOCATION_CODE> (2,049)
PTNCS

>  <AMOUNT_CURRENT> (2,049)
32.5

$$$$
WAY-628299
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.9583   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125    0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542    0.5833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -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  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 21  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10 20  2  0  0  0  0
 11  7  2  0  0  0  0
 12  1  1  0  0  0  0
 13  8  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 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22  6  1  0  0  0  0
 23  6  2  0  0  0  0
 24  9  1  0  0  0  0
 25 24  1  0  0  0  0
  3  5  1  0  0  0  0
 10 19  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,050)
2050

>  <Formula> (2,050)
C18H17FN4OS

>  <MolWeight> (2,050)
356.4171832

>  <PCAT_CMPD_ID> (2,050)
WAY-628299

>  <CNC_ID> (2,050)
359349449

>  <transfer_container_id> (2,050)
PTN000000068

>  <COMPOUND_NUMBER> (2,050)
WAY-628299

>  <BAR_CODE_NO> (2,050)
90462547

>  <LOCATION_CODE> (2,050)
PTNCS

>  <AMOUNT_CURRENT> (2,050)
32.9

$$$$
WAY-628354
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.9833    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    1.4583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2500    0.6333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1583    1.0458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4875   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.4958    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
   -3.6833    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -2.9292    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  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 11  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  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  3  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  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 12  1  0  0  0  0
 23 13  1  0  0  0  0
 11 24  1  1  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
 10  9  1  0  0  0  0
 17 18  2  0  0  0  0
 12 13  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,051)
2051

>  <Formula> (2,051)
C19H19N3O3S

>  <MolWeight> (2,051)
369.43746

>  <PCAT_CMPD_ID> (2,051)
WAY-628354

>  <CNC_ID> (2,051)
359349504

>  <transfer_container_id> (2,051)
PTN000000068

>  <COMPOUND_NUMBER> (2,051)
WAY-628354

>  <BAR_CODE_NO> (2,051)
90462603

>  <LOCATION_CODE> (2,051)
PTNCS

>  <AMOUNT_CURRENT> (2,051)
32.8

$$$$
WAY-628380
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4693   -0.0578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3514   -0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2934   -0.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514   -0.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3687   -1.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934   -0.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2934   -1.4992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3066    1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3106    1.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687   -0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1894   -1.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9313   -0.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934   -1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1307    0.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894   -1.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106   -1.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    2.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066    1.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7307    1.3767    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
  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
  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
 20 21  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,052)
2052

>  <Formula> (2,052)
C16H17BrN2O2

>  <MolWeight> (2,052)
349.22238

>  <PCAT_CMPD_ID> (2,052)
WAY-628380

>  <CNC_ID> (2,052)
359349530

>  <transfer_container_id> (2,052)
PTN000000068

>  <COMPOUND_NUMBER> (2,052)
WAY-628380

>  <BAR_CODE_NO> (2,052)
90462632

>  <LOCATION_CODE> (2,052)
PTNCS

>  <AMOUNT_CURRENT> (2,052)
32.2

$$$$
WAY-628395
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2875    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -0.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2875    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.8375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2792    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -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  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 14  1  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 15  1  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  5  2  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  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 17  2  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
 19 11  2  0  0  0  0
  7 13  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,053)
2053

>  <Formula> (2,053)
C20H26N4O

>  <MolWeight> (2,053)
338.44664

>  <PCAT_CMPD_ID> (2,053)
WAY-628395

>  <CNC_ID> (2,053)
359350148

>  <transfer_container_id> (2,053)
PTN000000068

>  <COMPOUND_NUMBER> (2,053)
WAY-628395

>  <BAR_CODE_NO> (2,053)
90462647

>  <LOCATION_CODE> (2,053)
PTNCS

>  <AMOUNT_CURRENT> (2,053)
32.8

$$$$
WAY-628398
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2000    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    2.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    3.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    4.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    3.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    1.3000    0.0000 C   0  0  0  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
    0.9042    1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.8417    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  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  7  1  0  0  0  0
  9  7  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 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  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 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  4  3  2  0  0  0  0
 16 11  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,054)
2054

>  <Formula> (2,054)
C14H11N5O2

>  <MolWeight> (2,054)
281.26944

>  <PCAT_CMPD_ID> (2,054)
WAY-628398

>  <CNC_ID> (2,054)
359349549

>  <transfer_container_id> (2,054)
PTN000000068

>  <COMPOUND_NUMBER> (2,054)
WAY-628398

>  <BAR_CODE_NO> (2,054)
90462650

>  <LOCATION_CODE> (2,054)
PTNCS

>  <AMOUNT_CURRENT> (2,054)
32.5

$$$$
WAY-628401
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.3792    0.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.6708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.7375    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
    2.6292    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    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  5  1  0  0  0  0
  5 12  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  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12 17  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  9  2  0  0  0  0
 17 18  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  3  1  0  0  0  0
 22  4  1  0  0  0  0
 23  4  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
 11 14  2  0  0  0  0
 18 20  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,055)
2055

>  <Formula> (2,055)
C18H22N2O4S2

>  <MolWeight> (2,055)
394.50828

>  <PCAT_CMPD_ID> (2,055)
WAY-628401

>  <CNC_ID> (2,055)
359349552

>  <transfer_container_id> (2,055)
PTN000000068

>  <COMPOUND_NUMBER> (2,055)
WAY-628401

>  <BAR_CODE_NO> (2,055)
90462653

>  <LOCATION_CODE> (2,055)
PTNCS

>  <AMOUNT_CURRENT> (2,055)
32.2

$$$$
WAY-628443
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.1375   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    2.2333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1375   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.5833    0.0000 O   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
   -0.4250   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.8208    0.0000 C   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
    2.4292    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    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 11  1  0  0  0  0
  4  3  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  1  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  2  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 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  6  1  0  0  0  0
 20 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  1  0  0  0  0
 15 14  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,056)
2056

>  <Formula> (2,056)
C16H19NO5

>  <MolWeight> (2,056)
305.32576

>  <PCAT_CMPD_ID> (2,056)
WAY-628443

>  <CNC_ID> (2,056)
359349594

>  <transfer_container_id> (2,056)
PTN000000068

>  <COMPOUND_NUMBER> (2,056)
WAY-628443

>  <BAR_CODE_NO> (2,056)
90462697

>  <LOCATION_CODE> (2,056)
PTNCS

>  <AMOUNT_CURRENT> (2,056)
32

$$$$
WAY-628445
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.3875    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    3.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    3.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -4.2417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  7  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  5  1  0  0  0  0
 17  4  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
 16 14  1  0  0  0  0
  7  6  2  0  0  0  0
M  END
>  <Mol_ID> (2,057)
2057

>  <Formula> (2,057)
C14H17ClN2O2S

>  <MolWeight> (2,057)
312.81498

>  <PCAT_CMPD_ID> (2,057)
WAY-628445

>  <CNC_ID> (2,057)
359349596

>  <transfer_container_id> (2,057)
PTN000000068

>  <COMPOUND_NUMBER> (2,057)
WAY-628445

>  <BAR_CODE_NO> (2,057)
90462699

>  <LOCATION_CODE> (2,057)
PTNCS

>  <AMOUNT_CURRENT> (2,057)
32.8

$$$$
WAY-628465
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4750   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7458   -0.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8167    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    1.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    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  1  1  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  4  2  0  0  0  0
  8 10  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  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  2  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  5  1  0  0  0  0
 21 12  1  0  0  0  0
  5  6  1  0  0  0  0
 18 17  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,058)
2058

>  <Formula> (2,058)
C14H15N3O3S

>  <MolWeight> (2,058)
305.3522

>  <PCAT_CMPD_ID> (2,058)
WAY-628465

>  <CNC_ID> (2,058)
359349616

>  <transfer_container_id> (2,058)
PTN000000068

>  <COMPOUND_NUMBER> (2,058)
WAY-628465

>  <BAR_CODE_NO> (2,058)
90462720

>  <LOCATION_CODE> (2,058)
PTNCS

>  <AMOUNT_CURRENT> (2,058)
32.4

$$$$
WAY-628532
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.9708   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9792   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    0.1333    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
    5.0750   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   -0.6917    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  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 17  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  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 18  1  0  0  0  0
 18 13  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 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 19  2  0  0  0  0
 25 20  2  0  0  0  0
  7  6  2  0  0  0  0
 25 24  1  0  0  0  0
 14 16  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,059)
2059

>  <Formula> (2,059)
C19H18N2O3S

>  <MolWeight> (2,059)
354.42282

>  <PCAT_CMPD_ID> (2,059)
WAY-628532

>  <CNC_ID> (2,059)
359349683

>  <transfer_container_id> (2,059)
PTN000000068

>  <COMPOUND_NUMBER> (2,059)
WAY-628532

>  <BAR_CODE_NO> (2,059)
90462788

>  <LOCATION_CODE> (2,059)
PTNCS

>  <AMOUNT_CURRENT> (2,059)
32.6

$$$$
WAY-628537
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.2208    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.5708    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
    0.1000   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.6917    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    1.9833    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  1  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  2  2  0  0  0  0
 11  4  2  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  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  4  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
 11 13  1  0  0  0  0
 23 20  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,060)
2060

>  <Formula> (2,060)
C18H19NO3S

>  <MolWeight> (2,060)
329.41336

>  <PCAT_CMPD_ID> (2,060)
WAY-628537

>  <CNC_ID> (2,060)
359349688

>  <transfer_container_id> (2,060)
PTN000000068

>  <COMPOUND_NUMBER> (2,060)
WAY-628537

>  <BAR_CODE_NO> (2,060)
90462793

>  <LOCATION_CODE> (2,060)
PTNCS

>  <AMOUNT_CURRENT> (2,060)
32.3

$$$$
WAY-628588
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.9192   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609   -1.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1234   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359    0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4641   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6433    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2558   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9183   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1058    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  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  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 10  1  0  0  0  0
 13 12  1  0  0  0  0
  5  8  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,061)
2061

>  <Formula> (2,061)
C8H12N4S

>  <MolWeight> (2,061)
196.27268

>  <PCAT_CMPD_ID> (2,061)
WAY-628588

>  <CNC_ID> (2,061)
359349739

>  <transfer_container_id> (2,061)
PTN000000068

>  <COMPOUND_NUMBER> (2,061)
WAY-628588

>  <BAR_CODE_NO> (2,061)
90462845

>  <LOCATION_CODE> (2,061)
PTNCS

>  <AMOUNT_CURRENT> (2,061)
32.8

$$$$
WAY-628597
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5875   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7750    0.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0292    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.2125    0.0000 O   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
   -3.2875   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.7000    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
    3.3042   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -1.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    2.7458    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  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  1  1  0  0  0  0
  9  1  2  0  0  0  0
 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  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
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  3  1  0  0  0  0
 20 21  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 17  1  0  0  0  0
 22 15  2  0  0  0  0
 24 23  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,062)
2062

>  <Formula> (2,062)
C18H22ClN3OS

>  <MolWeight> (2,062)
363.90478

>  <PCAT_CMPD_ID> (2,062)
WAY-628597

>  <CNC_ID> (2,062)
359349748

>  <transfer_container_id> (2,062)
PTN000000068

>  <COMPOUND_NUMBER> (2,062)
WAY-628597

>  <BAR_CODE_NO> (2,062)
90462855

>  <LOCATION_CODE> (2,062)
PTNCS

>  <AMOUNT_CURRENT> (2,062)
32.8

$$$$
WAY-628647
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4792   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    1.0458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -2.5542    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 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9  8  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 16  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 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  4  1  0  0  0  0
 22  5  1  0  0  0  0
  3  2  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,063)
2063

>  <Formula> (2,063)
C16H16FNO4

>  <MolWeight> (2,063)
305.3009432

>  <PCAT_CMPD_ID> (2,063)
WAY-628647

>  <CNC_ID> (2,063)
359349798

>  <transfer_container_id> (2,063)
PTN000000068

>  <COMPOUND_NUMBER> (2,063)
WAY-628647

>  <BAR_CODE_NO> (2,063)
90462908

>  <LOCATION_CODE> (2,063)
PTNCS

>  <AMOUNT_CURRENT> (2,063)
32.4

$$$$
WAY-628675
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.2083   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.1875    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
    0.2167   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -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  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  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 15  3  0  0  0  0
 13 14  1  0  0  0  0
 14 11  2  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 22  3  1  0  0  0  0
 23 22  1  0  0  0  0
 24 10  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 24  1  0  0  0  0
 29 28  1  0  0  0  0
  7  4  2  0  0  0  0
  9  6  1  0  0  0  0
 16 13  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,064)
2064

>  <Formula> (2,064)
C21H20N4O4

>  <MolWeight> (2,064)
392.4079

>  <PCAT_CMPD_ID> (2,064)
WAY-628675

>  <CNC_ID> (2,064)
359349826

>  <transfer_container_id> (2,064)
PTN000000068

>  <COMPOUND_NUMBER> (2,064)
WAY-628675

>  <BAR_CODE_NO> (2,064)
90462936

>  <LOCATION_CODE> (2,064)
PTNCS

>  <AMOUNT_CURRENT> (2,064)
32.5

$$$$
WAY-628695
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.9125    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    2.3375    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
   -1.9458    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    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  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  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10 17  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  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  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  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
  5  6  2  0  0  0  0
 23 22  1  0  0  0  0
 26 25  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,065)
2065

>  <Formula> (2,065)
C20H15N3O3

>  <MolWeight> (2,065)
345.3514

>  <PCAT_CMPD_ID> (2,065)
WAY-628695

>  <CNC_ID> (2,065)
359349846

>  <transfer_container_id> (2,065)
PTN000000068

>  <COMPOUND_NUMBER> (2,065)
WAY-628695

>  <BAR_CODE_NO> (2,065)
90462956

>  <LOCATION_CODE> (2,065)
PTNCS

>  <AMOUNT_CURRENT> (2,065)
32

$$$$
WAY-628701
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2875   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.3667    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
   -2.5583   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  6  2  0  0  0  0
  9 20  1  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 14  1  0  0  0  0
 14 18  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  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 16  1  0  0  0  0
  4  5  2  0  0  0  0
 17 11  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,066)
2066

>  <Formula> (2,066)
C15H22N2O2S

>  <MolWeight> (2,066)
294.41238

>  <PCAT_CMPD_ID> (2,066)
WAY-628701

>  <CNC_ID> (2,066)
359349852

>  <transfer_container_id> (2,066)
PTN000000068

>  <COMPOUND_NUMBER> (2,066)
WAY-628701

>  <BAR_CODE_NO> (2,066)
90462962

>  <LOCATION_CODE> (2,066)
PTNCS

>  <AMOUNT_CURRENT> (2,066)
32.3

$$$$
WAY-628715
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.3125    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.1375    0.0000 C   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
    1.9167    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    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  1  1  0  0  0  0
  5  4  1  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  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  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  2  0  0  0  0
  9  8  2  0  0  0  0
 10 11  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,067)
2067

>  <Formula> (2,067)
C12H10N4O

>  <MolWeight> (2,067)
226.234

>  <PCAT_CMPD_ID> (2,067)
WAY-628715

>  <CNC_ID> (2,067)
359349866

>  <transfer_container_id> (2,067)
PTN000000068

>  <COMPOUND_NUMBER> (2,067)
WAY-628715

>  <BAR_CODE_NO> (2,067)
90462978

>  <LOCATION_CODE> (2,067)
PTNCS

>  <AMOUNT_CURRENT> (2,067)
32.4

$$$$
WAY-628739
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0375   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.1542    0.0000 O   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
   -0.8208   -0.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3250   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.3917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    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  9  1  0  0  0  0
  4 11  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  1  2  0  0  0  0
  9 12  1  0  0  0  0
 10  2  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  1  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 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
 21 17  2  0  0  0  0
  6  5  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,068)
2068

>  <Formula> (2,068)
C16H13FO4

>  <MolWeight> (2,068)
288.2704232

>  <PCAT_CMPD_ID> (2,068)
WAY-628739

>  <CNC_ID> (2,068)
359349890

>  <transfer_container_id> (2,068)
PTN000000068

>  <COMPOUND_NUMBER> (2,068)
WAY-628739

>  <BAR_CODE_NO> (2,068)
90463003

>  <LOCATION_CODE> (2,068)
PTNCS

>  <AMOUNT_CURRENT> (2,068)
32.3

$$$$
WAY-628835
csChFnd80/11182011152D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -0.5083    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    2.5208    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  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  2  0  0  0  0
  9 15  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  5  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  2  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  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
  4  3  1  0  0  0  0
 12 14  1  0  0  0  0
 10  9  2  0  0  0  0
 24 21  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,069)
2069

>  <Formula> (2,069)
C19H17N5

>  <MolWeight> (2,069)
315.37178

>  <PCAT_CMPD_ID> (2,069)
WAY-628835

>  <CNC_ID> (2,069)
359349986

>  <transfer_container_id> (2,069)
PTN000000068

>  <COMPOUND_NUMBER> (2,069)
WAY-628835

>  <BAR_CODE_NO> (2,069)
90463107

>  <LOCATION_CODE> (2,069)
PTNCS

>  <AMOUNT_CURRENT> (2,069)
32.7

$$$$
WAY-628837
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.6208    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -1.2542    0.0000 O   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
    1.5292   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.6250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -2.4500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    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  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  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11 17  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  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
 19 20  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,070)
2070

>  <Formula> (2,070)
C15H18F2N2O

>  <MolWeight> (2,070)
280.3130264

>  <PCAT_CMPD_ID> (2,070)
WAY-628837

>  <CNC_ID> (2,070)
359349988

>  <transfer_container_id> (2,070)
PTN000000068

>  <COMPOUND_NUMBER> (2,070)
WAY-628837

>  <BAR_CODE_NO> (2,070)
90463109

>  <LOCATION_CODE> (2,070)
PTNCS

>  <AMOUNT_CURRENT> (2,070)
32.1

$$$$
WAY-628853
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4083   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5083    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.6375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    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  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  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  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  2  1  0  0  0  0
 15  9  1  0  0  0  0
 16  1  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 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,071)
2071

>  <Formula> (2,071)
C18H18ClNO3

>  <MolWeight> (2,071)
331.79342

>  <PCAT_CMPD_ID> (2,071)
WAY-628853

>  <CNC_ID> (2,071)
359350004

>  <transfer_container_id> (2,071)
PTN000000068

>  <COMPOUND_NUMBER> (2,071)
WAY-628853

>  <BAR_CODE_NO> (2,071)
90463125

>  <LOCATION_CODE> (2,071)
PTNCS

>  <AMOUNT_CURRENT> (2,071)
32.3

$$$$
WAY-628868
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.0667    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    2.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    2.1833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -3.9042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -2.9417    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  6  1  0  0  0  0
  8 17  1  0  0  0  0
  9  4  1  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 11  2  0  0  0  0
 14  6  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  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 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
  4  2  2  0  0  0  0
 13  9  1  0  0  0  0
  8 18  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,072)
2072

>  <Formula> (2,072)
C16H14Cl2N4OS

>  <MolWeight> (2,072)
381.27956

>  <PCAT_CMPD_ID> (2,072)
WAY-628868

>  <CNC_ID> (2,072)
359350019

>  <transfer_container_id> (2,072)
PTN000000068

>  <COMPOUND_NUMBER> (2,072)
WAY-628868

>  <BAR_CODE_NO> (2,072)
90463140

>  <LOCATION_CODE> (2,072)
PTNCS

>  <AMOUNT_CURRENT> (2,072)
33

$$$$
WAY-628883
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.0333   -1.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -2.6667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    3.5208    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
    1.1042    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    4.7500    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  6  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  2  2  0  0  0  0
 10 23  1  0  0  0  0
 11  5  2  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15 22  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  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
 23 20  1  0  0  0  0
 24 10  1  0  0  0  0
 25 16  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 15 21  1  0  0  0  0
  6 12  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,073)
2073

>  <Formula> (2,073)
C19H25FN2O4S

>  <MolWeight> (2,073)
396.4762032

>  <PCAT_CMPD_ID> (2,073)
WAY-628883

>  <CNC_ID> (2,073)
359350034

>  <transfer_container_id> (2,073)
PTN000000068

>  <COMPOUND_NUMBER> (2,073)
WAY-628883

>  <BAR_CODE_NO> (2,073)
90463155

>  <LOCATION_CODE> (2,073)
PTNCS

>  <AMOUNT_CURRENT> (2,073)
32.3

$$$$
WAY-628884
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.2958   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -2.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.8958    0.0000 C   0  0  0  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 13  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  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  5  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20  9  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  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
  5  7  2  0  0  0  0
 19 16  1  0  0  0  0
 14  8  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,074)
2074

>  <Formula> (2,074)
C20H24N2O2S

>  <MolWeight> (2,074)
356.48176

>  <PCAT_CMPD_ID> (2,074)
WAY-628884

>  <CNC_ID> (2,074)
359350035

>  <transfer_container_id> (2,074)
PTN000000068

>  <COMPOUND_NUMBER> (2,074)
WAY-628884

>  <BAR_CODE_NO> (2,074)
90463156

>  <LOCATION_CODE> (2,074)
PTNCS

>  <AMOUNT_CURRENT> (2,074)
32.2

$$$$
WAY-628904
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.1750    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.4333    0.0000 O   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
   -0.5375    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    3.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -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  7  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  2  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  8  1  0  0  0  0
 11 15  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20 16  1  0  0  0  0
 21  7  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  5  1  0  0  0  0
 14 11  1  0  0  0  0
 17 20  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,075)
2075

>  <Formula> (2,075)
C20H18N2O2

>  <MolWeight> (2,075)
318.36912

>  <PCAT_CMPD_ID> (2,075)
WAY-628904

>  <CNC_ID> (2,075)
359350055

>  <transfer_container_id> (2,075)
PTN000000068

>  <COMPOUND_NUMBER> (2,075)
WAY-628904

>  <BAR_CODE_NO> (2,075)
90463176

>  <LOCATION_CODE> (2,075)
PTNCS

>  <AMOUNT_CURRENT> (2,075)
32.1

$$$$
WAY-628907
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0000   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7208    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.8583    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  2  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  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13 12  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 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 13 11  2  0  0  0  0
 19 17  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,076)
2076

>  <Formula> (2,076)
C14H11NO4

>  <MolWeight> (2,076)
257.24144

>  <PCAT_CMPD_ID> (2,076)
WAY-628907

>  <CNC_ID> (2,076)
359350058

>  <transfer_container_id> (2,076)
PTN000000068

>  <COMPOUND_NUMBER> (2,076)
WAY-628907

>  <BAR_CODE_NO> (2,076)
90463179

>  <LOCATION_CODE> (2,076)
PTNCS

>  <AMOUNT_CURRENT> (2,076)
33

$$$$
WAY-628977
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.7042   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.8458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -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  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  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  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14  9  1  0  0  0  0
 15 20  2  0  0  0  0
 16  6  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 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
  3  6  1  0  0  0  0
 13 12  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,077)
2077

>  <Formula> (2,077)
C16H16FN5S

>  <MolWeight> (2,077)
329.3951432

>  <PCAT_CMPD_ID> (2,077)
WAY-628977

>  <CNC_ID> (2,077)
359350128

>  <transfer_container_id> (2,077)
PTN000000068

>  <COMPOUND_NUMBER> (2,077)
WAY-628977

>  <BAR_CODE_NO> (2,077)
90463250

>  <LOCATION_CODE> (2,077)
PTNCS

>  <AMOUNT_CURRENT> (2,077)
32.4

$$$$
WAY-628981
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1833    1.3361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292   -0.7806    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    1.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    0.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.1889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875   -0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5167    2.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -0.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0333   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -1.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9458    0.4402    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  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  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
  5  3  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,078)
2078

>  <Formula> (2,078)
C10H14N2O2S

>  <MolWeight> (2,078)
226.29536

>  <PCAT_CMPD_ID> (2,078)
WAY-628981

>  <CNC_ID> (2,078)
359350132

>  <transfer_container_id> (2,078)
PTN000000068

>  <COMPOUND_NUMBER> (2,078)
WAY-628981

>  <BAR_CODE_NO> (2,078)
90463254

>  <LOCATION_CODE> (2,078)
PTNCS

>  <AMOUNT_CURRENT> (2,078)
33

$$$$
WAY-629037
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.2542    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -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  3  1  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  9  3  0  0  0  0
  9 13  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  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 11  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
  4  7  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,079)
2079

>  <Formula> (2,079)
C15H17N5

>  <MolWeight> (2,079)
267.32898

>  <PCAT_CMPD_ID> (2,079)
WAY-629037

>  <CNC_ID> (2,079)
359350187

>  <transfer_container_id> (2,079)
PTN000000068

>  <COMPOUND_NUMBER> (2,079)
WAY-629037

>  <BAR_CODE_NO> (2,079)
90463313

>  <LOCATION_CODE> (2,079)
PTNCS

>  <AMOUNT_CURRENT> (2,079)
32.4

$$$$
WAY-629056
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9379   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241    0.6895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862    0.6895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.6895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -1.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    1.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069    1.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276    0.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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  1  0  0  0  0
 14 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
 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> (2,080)
2080

>  <Formula> (2,080)
C18H14O4

>  <MolWeight> (2,080)
294.30136

>  <PCAT_CMPD_ID> (2,080)
WAY-629056

>  <CNC_ID> (2,080)
359350206

>  <transfer_container_id> (2,080)
PTN000000068

>  <COMPOUND_NUMBER> (2,080)
WAY-629056

>  <BAR_CODE_NO> (2,080)
90463332

>  <LOCATION_CODE> (2,080)
PTNCS

>  <AMOUNT_CURRENT> (2,080)
32.2

$$$$
WAY-629120
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.5708    0.0000 N   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
   -0.6875    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    3.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -2.1417    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
   -1.4000    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.3333    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
    0.0292   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -3.7917    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  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9 12  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  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  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
  3  4  2  0  0  0  0
 21 17  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,081)
2081

>  <Formula> (2,081)
C19H18N2O3

>  <MolWeight> (2,081)
322.35782

>  <PCAT_CMPD_ID> (2,081)
WAY-629120

>  <CNC_ID> (2,081)
359350270

>  <transfer_container_id> (2,081)
PTN000000068

>  <COMPOUND_NUMBER> (2,081)
WAY-629120

>  <BAR_CODE_NO> (2,081)
90463401

>  <LOCATION_CODE> (2,081)
PTNCS

>  <AMOUNT_CURRENT> (2,081)
32.8

$$$$
WAY-629128
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3208   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6792    0.2833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6792    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -0.1292    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  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  2  1  0  0  0  0
 10  5  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14  3  2  0  0  0  0
 15  4  2  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
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 21  2  0  0  0  0
 25 20  2  0  0  0  0
 12 10  1  0  0  0  0
 24 25  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,082)
2082

>  <Formula> (2,082)
C20H23NO4

>  <MolWeight> (2,082)
341.40092

>  <PCAT_CMPD_ID> (2,082)
WAY-629128

>  <CNC_ID> (2,082)
359350278

>  <transfer_container_id> (2,082)
PTN000000068

>  <COMPOUND_NUMBER> (2,082)
WAY-629128

>  <BAR_CODE_NO> (2,082)
90463409

>  <LOCATION_CODE> (2,082)
PTNCS

>  <AMOUNT_CURRENT> (2,082)
32.1

$$$$
WAY-629212
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -2.8375   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -0.8917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    0.1958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.3125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.8667    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  2  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  1  1  0  0  0  0
  9 14  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  2  0  0  0  0
 13 12  1  0  0  0  0
 14 22  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  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  3  1  0  0  0  0
 22 16  1  0  0  0  0
 23 12  1  0  0  0  0
 24  2  1  0  0  0  0
 25 11  1  0  0  0  0
  6 11  1  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,083)
2083

>  <Formula> (2,083)
C15H12ClF3N2O4

>  <MolWeight> (2,083)
376.7149896

>  <PCAT_CMPD_ID> (2,083)
WAY-629212

>  <CNC_ID> (2,083)
359350362

>  <transfer_container_id> (2,083)
PTN000000068

>  <COMPOUND_NUMBER> (2,083)
WAY-629212

>  <BAR_CODE_NO> (2,083)
90463499

>  <LOCATION_CODE> (2,083)
PTNCS

>  <AMOUNT_CURRENT> (2,083)
33

$$$$
WAY-629219
csChFnd80/11182011152D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0422   -0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411    0.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0578   -0.5608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4078   -0.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203    0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7422   -0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    0.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464   -0.0358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172   -0.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7964   -0.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1536    1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5203    0.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6536    1.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411    1.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -1.5108    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  2  0  0  0  0
  8  7  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  5  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
  3  5  2  0  0  0  0
 10  8  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,084)
2084

>  <Formula> (2,084)
C10H8N4O

>  <MolWeight> (2,084)
200.19672

>  <PCAT_CMPD_ID> (2,084)
WAY-629219

>  <CNC_ID> (2,084)
359350369

>  <transfer_container_id> (2,084)
PTN000000068

>  <COMPOUND_NUMBER> (2,084)
WAY-629219

>  <BAR_CODE_NO> (2,084)
90463506

>  <LOCATION_CODE> (2,084)
PTNCS

>  <AMOUNT_CURRENT> (2,084)
32.9

$$$$
WAY-629296
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.6333   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.2417    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
    1.9375    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    2.6125    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  3  1  0  0  0  0
  6  8  2  0  0  0  0
  7  1  1  0  0  0  0
  8 14  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  3  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15  7  2  0  0  0  0
 16  4  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  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
  5  4  2  0  0  0  0
 13 12  2  0  0  0  0
 17  9  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,085)
2085

>  <Formula> (2,085)
C16H12N6S

>  <MolWeight> (2,085)
320.37168

>  <PCAT_CMPD_ID> (2,085)
WAY-629296

>  <CNC_ID> (2,085)
359350446

>  <transfer_container_id> (2,085)
PTN000000068

>  <COMPOUND_NUMBER> (2,085)
WAY-629296

>  <BAR_CODE_NO> (2,085)
90463585

>  <LOCATION_CODE> (2,085)
PTNCS

>  <AMOUNT_CURRENT> (2,085)
32.7

$$$$
WAY-629325
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.4833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -3.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.3583    0.0000 C   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
   -0.4833    4.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -5.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    3.6583    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  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6 14  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  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 23  1  0  0  0  0
 14  5  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  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 11  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
  8 11  2  0  0  0  0
 27 25  2  0  0  0  0
  7 15  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,086)
2086

>  <Formula> (2,086)
C20H20N4O2S

>  <MolWeight> (2,086)
380.4634

>  <PCAT_CMPD_ID> (2,086)
WAY-629325

>  <CNC_ID> (2,086)
359350475

>  <transfer_container_id> (2,086)
PTN000000068

>  <COMPOUND_NUMBER> (2,086)
WAY-629325

>  <BAR_CODE_NO> (2,086)
90463617

>  <LOCATION_CODE> (2,086)
PTNCS

>  <AMOUNT_CURRENT> (2,086)
32.6

$$$$
WAY-629347
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0917    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.0583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    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  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  2  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  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 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  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 16  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 23  2  0  0  0  0
  5  6  1  0  0  0  0
 25 22  1  0  0  0  0
 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,087)
2087

>  <Formula> (2,087)
C17H15ClN2O3S2

>  <MolWeight> (2,087)
394.8956

>  <PCAT_CMPD_ID> (2,087)
WAY-629347

>  <CNC_ID> (2,087)
359350497

>  <transfer_container_id> (2,087)
PTN000000068

>  <COMPOUND_NUMBER> (2,087)
WAY-629347

>  <BAR_CODE_NO> (2,087)
90463639

>  <LOCATION_CODE> (2,087)
PTNCS

>  <AMOUNT_CURRENT> (2,087)
32.6

$$$$
WAY-629410
csChFnd80/11182011152D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -1.9085   -0.0776    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210   -0.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585    0.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6835    0.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710    0.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165   -0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6332   -0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3582   -0.4401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168    0.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918   -0.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707   -1.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3790   -1.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915   -0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1290   -1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582   -0.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3543    1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0082    0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290   -1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915   -0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1543    1.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918    1.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4668    1.9849    0.0000 C   0  0  0  0  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 14  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  1  2  0  0  0  0
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 16  2  0  0  0  0
 15  5  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  2  0  0  0  0
 18 12  1  0  0  0  0
 19  3  1  0  0  0  0
 20  4  2  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  1  0  0  0  0
 25 15  1  0  0  0  0
 26 23  1  0  0  0  0
  5  4  1  0  0  0  0
 15 26  2  0  0  0  0
 24 25  2  0  0  0  0
 17 14  1  0  0  0  0
 13  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,088)
2088

>  <Formula> (2,088)
C19H13N3O3S

>  <MolWeight> (2,088)
363.38982

>  <PCAT_CMPD_ID> (2,088)
WAY-629410

>  <CNC_ID> (2,088)
359350560

>  <transfer_container_id> (2,088)
PTN000000068

>  <COMPOUND_NUMBER> (2,088)
WAY-629410

>  <BAR_CODE_NO> (2,088)
90463707

>  <LOCATION_CODE> (2,088)
PTNCS

>  <AMOUNT_CURRENT> (2,088)
32.8

$$$$
WAY-629670
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -3.3833    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5333    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -3.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -2.1750    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 11  1  0  0  0  0
  7  2  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 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14  6  2  0  0  0  0
 15  4  2  0  0  0  0
 16 12  2  0  0  0  0
 17  9  2  0  0  0  0
 18 27  2  0  0  0  0
 19 26  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  1  0  0  0  0
 22 32  2  0  0  0  0
 23 17  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  2  0  0  0  0
 27 24  1  0  0  0  0
 28  2  1  0  0  0  0
 29 20  1  0  0  0  0
 30 20  2  0  0  0  0
 31 29  2  0  0  0  0
 32 30  1  0  0  0  0
 33 12  1  0  0  0  0
 10 23  2  0  0  0  0
  4  7  1  0  0  0  0
 11 19  2  0  0  0  0
 31 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,089)
2089

>  <Formula> (2,089)
C26H22N2O5

>  <MolWeight> (2,089)
442.46328

>  <PCAT_CMPD_ID> (2,089)
WAY-629670

>  <CNC_ID> (2,089)
359350820

>  <transfer_container_id> (2,089)
PTN000000068

>  <COMPOUND_NUMBER> (2,089)
WAY-629670

>  <BAR_CODE_NO> (2,089)
90463979

>  <LOCATION_CODE> (2,089)
PTNCS

>  <AMOUNT_CURRENT> (2,089)
32.7

$$$$
WAY-629708
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.7333   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -0.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250   -0.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.3792    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  3  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  1  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 16  1  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 13  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 17  1  0  0  0  0
 21 14  2  0  0  0  0
 22  1  1  0  0  0  0
 23  4  1  0  0  0  0
 24  9  1  0  0  0  0
 25 14  1  0  0  0  0
 26 22  1  0  0  0  0
  6 10  1  0  0  0  0
 18 20  2  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,090)
2090

>  <Formula> (2,090)
C18H20N4O2S2

>  <MolWeight> (2,090)
388.507

>  <PCAT_CMPD_ID> (2,090)
WAY-629708

>  <CNC_ID> (2,090)
359350858

>  <transfer_container_id> (2,090)
PTN000000068

>  <COMPOUND_NUMBER> (2,090)
WAY-629708

>  <BAR_CODE_NO> (2,090)
90464017

>  <LOCATION_CODE> (2,090)
PTNCS

>  <AMOUNT_CURRENT> (2,090)
32

$$$$
WAY-629728
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0375    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.9458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -2.7792    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
    2.9167   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -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  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  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  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 11  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 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  6  2  0  0  0  0
 15 13  2  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,091)
2091

>  <Formula> (2,091)
C19H14N4OS

>  <MolWeight> (2,091)
346.40566

>  <PCAT_CMPD_ID> (2,091)
WAY-629728

>  <CNC_ID> (2,091)
359350878

>  <transfer_container_id> (2,091)
PTN000000068

>  <COMPOUND_NUMBER> (2,091)
WAY-629728

>  <BAR_CODE_NO> (2,091)
90464037

>  <LOCATION_CODE> (2,091)
PTNCS

>  <AMOUNT_CURRENT> (2,091)
32.7

$$$$
WAY-629811
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.0958   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6167    2.7208    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.3083    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8292    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    3.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -4.4292    0.0000 F   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
  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  1  1  0  0  0  0
  9 12  2  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  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  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  1  0  0  0  0
 20 21  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 11  1  0  0  0  0
 25  5  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 28 22  2  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
  4  5  1  0  0  0  0
 13 11  2  0  0  0  0
 20 24  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,092)
2092

>  <Formula> (2,092)
C20H18FN3O6

>  <MolWeight> (2,092)
415.3718232

>  <PCAT_CMPD_ID> (2,092)
WAY-629811

>  <CNC_ID> (2,092)
359350961

>  <transfer_container_id> (2,092)
PTN000000068

>  <COMPOUND_NUMBER> (2,092)
WAY-629811

>  <BAR_CODE_NO> (2,092)
90464123

>  <LOCATION_CODE> (2,092)
PTNCS

>  <AMOUNT_CURRENT> (2,092)
32.6

$$$$
WAY-629830
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2792    1.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2792   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -2.5042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    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  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  1  1  0  0  0  0
  8  4  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  2  1  0  0  0  0
 13 16  1  0  0  0  0
 14 20  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 21  1  0  0  0  0
 21 12  1  0  0  0  0
 22  6  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
 10 11  1  0  0  0  0
  4  2  1  0  0  0  0
 25 23  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,093)
2093

>  <Formula> (2,093)
C19H17ClN2O3

>  <MolWeight> (2,093)
356.80288

>  <PCAT_CMPD_ID> (2,093)
WAY-629830

>  <CNC_ID> (2,093)
359350980

>  <transfer_container_id> (2,093)
PTN000000068

>  <COMPOUND_NUMBER> (2,093)
WAY-629830

>  <BAR_CODE_NO> (2,093)
90464142

>  <LOCATION_CODE> (2,093)
PTNCS

>  <AMOUNT_CURRENT> (2,093)
32.9

$$$$
WAY-629875
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6417   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.0417    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
    0.8375   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    2.0208    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  7  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  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  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  6  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 16  1  0  0  0  0
  3  2  1  0  0  0  0
 23 22  1  0  0  0  0
 21 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,094)
2094

>  <Formula> (2,094)
C18H20FNO3

>  <MolWeight> (2,094)
317.3547032

>  <PCAT_CMPD_ID> (2,094)
WAY-629875

>  <CNC_ID> (2,094)
359351025

>  <transfer_container_id> (2,094)
PTN000000068

>  <COMPOUND_NUMBER> (2,094)
WAY-629875

>  <BAR_CODE_NO> (2,094)
90464187

>  <LOCATION_CODE> (2,094)
PTNCS

>  <AMOUNT_CURRENT> (2,094)
32.5

$$$$
WAY-629903
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.5125   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -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  4  1  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  3  2  0  0  0  0
  8 13  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  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  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  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  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 25 21  1  0  0  0  0
 24 23  1  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,095)
2095

>  <Formula> (2,095)
C20H28N2O3

>  <MolWeight> (2,095)
344.44792

>  <PCAT_CMPD_ID> (2,095)
WAY-629903

>  <CNC_ID> (2,095)
359351053

>  <transfer_container_id> (2,095)
PTN000000068

>  <COMPOUND_NUMBER> (2,095)
WAY-629903

>  <BAR_CODE_NO> (2,095)
90464218

>  <LOCATION_CODE> (2,095)
PTNCS

>  <AMOUNT_CURRENT> (2,095)
32.4

$$$$
WAY-629945
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4708    3.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    4.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    1.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.1958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3125    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.4417    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  1  2  0  0  0  0
  7  1  2  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 18  1  0  0  0  0
 12  4  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  1  0  0  0  0
 19  2  1  0  0  0  0
 20 22  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
 16 12  1  0  0  0  0
 20 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,096)
2096

>  <Formula> (2,096)
C13H16N2O5S2

>  <MolWeight> (2,096)
344.40654

>  <PCAT_CMPD_ID> (2,096)
WAY-629945

>  <CNC_ID> (2,096)
359351095

>  <transfer_container_id> (2,096)
PTN000000068

>  <COMPOUND_NUMBER> (2,096)
WAY-629945

>  <BAR_CODE_NO> (2,096)
90464262

>  <LOCATION_CODE> (2,096)
PTNCS

>  <AMOUNT_CURRENT> (2,096)
32.6

$$$$
WAY-629959
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.7208   -0.4375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4333   -0.8500    0.0000 O   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
    0.8542   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833    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  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8  2  1  0  0  0  0
  9 23  1  0  0  0  0
 10  3  1  0  0  0  0
 11 16  2  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14 22  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17  3  2  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20  5  2  0  0  0  0
 21  9  2  0  0  0  0
 22 24  2  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25  8  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 13  1  0  0  0  0
 29 25  2  0  0  0  0
 30 28  2  0  0  0  0
 13  8  2  0  0  0  0
 29 30  1  0  0  0  0
 14  7  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,097)
2097

>  <Formula> (2,097)
C20H18N2O8

>  <MolWeight> (2,097)
414.36552

>  <PCAT_CMPD_ID> (2,097)
WAY-629959

>  <CNC_ID> (2,097)
359351109

>  <transfer_container_id> (2,097)
PTN000000068

>  <COMPOUND_NUMBER> (2,097)
WAY-629959

>  <BAR_CODE_NO> (2,097)
90464276

>  <LOCATION_CODE> (2,097)
PTNCS

>  <AMOUNT_CURRENT> (2,097)
32

$$$$
WAY-630009
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.5750   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    2.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    1.2583    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
    1.9000   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.1917    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  3  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  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  9  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 13  1  0  0  0  0
 16 12  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 10  1  0  0  0  0
 21 10  2  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 20  2  0  0  0  0
 26 24  2  0  0  0  0
  4  5  2  0  0  0  0
 22 23  1  0  0  0  0
 26 25  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,098)
2098

>  <Formula> (2,098)
C21H24N4O

>  <MolWeight> (2,098)
348.44146

>  <PCAT_CMPD_ID> (2,098)
WAY-630009

>  <CNC_ID> (2,098)
359351159

>  <transfer_container_id> (2,098)
PTN000000068

>  <COMPOUND_NUMBER> (2,098)
WAY-630009

>  <BAR_CODE_NO> (2,098)
90464327

>  <LOCATION_CODE> (2,098)
PTNCS

>  <AMOUNT_CURRENT> (2,098)
32

$$$$
WAY-630094
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.6292   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -2.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3 13  2  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  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11 15  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 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 23  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
 22  7  1  0  0  0  0
 23 24  2  0  0  0  0
 24 13  1  0  0  0  0
  4  2  1  0  0  0  0
 18  8  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,099)
2099

>  <Formula> (2,099)
C18H21NO5

>  <MolWeight> (2,099)
331.36304

>  <PCAT_CMPD_ID> (2,099)
WAY-630094

>  <CNC_ID> (2,099)
359351244

>  <transfer_container_id> (2,099)
PTN000000068

>  <COMPOUND_NUMBER> (2,099)
WAY-630094

>  <BAR_CODE_NO> (2,099)
90464415

>  <LOCATION_CODE> (2,099)
PTNCS

>  <AMOUNT_CURRENT> (2,099)
32.2

$$$$
WAY-630098
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2083   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -3.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    2.0833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    4.5417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9  7  1  0  0  0  0
 10 19  1  0  0  0  0
 11  1  2  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  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  2  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 22  2  0  0  0  0
 25 24  1  0  0  0  0
  3  5  2  0  0  0  0
 25 23  2  0  0  0  0
 16  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,100)
2100

>  <Formula> (2,100)
C18H14Cl2N2O3

>  <MolWeight> (2,100)
377.22136

>  <PCAT_CMPD_ID> (2,100)
WAY-630098

>  <CNC_ID> (2,100)
359351248

>  <transfer_container_id> (2,100)
PTN000000068

>  <COMPOUND_NUMBER> (2,100)
WAY-630098

>  <BAR_CODE_NO> (2,100)
90464419

>  <LOCATION_CODE> (2,100)
PTNCS

>  <AMOUNT_CURRENT> (2,100)
32.7

$$$$
WAY-630104
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7250    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    3.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.1792    0.0000 C   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
    0.5375   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.5792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.3833    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
   -2.1958    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  9  3  0  0  0  0
  8  3  2  0  0  0  0
  9 12  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 11  2  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  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  1  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
 22 21  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,101)
2101

>  <Formula> (2,101)
C16H17ClN4S

>  <MolWeight> (2,101)
332.85098

>  <PCAT_CMPD_ID> (2,101)
WAY-630104

>  <CNC_ID> (2,101)
359351254

>  <transfer_container_id> (2,101)
PTN000000068

>  <COMPOUND_NUMBER> (2,101)
WAY-630104

>  <BAR_CODE_NO> (2,101)
90464425

>  <LOCATION_CODE> (2,101)
PTNCS

>  <AMOUNT_CURRENT> (2,101)
33

$$$$
WAY-630119
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.5083    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.4083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9083    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.4083    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
    0.8000   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -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  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 14  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  9  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17  3  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
  5  3  1  0  0  0  0
  9  8  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,102)
2102

>  <Formula> (2,102)
C15H14N2O3

>  <MolWeight> (2,102)
270.28326

>  <PCAT_CMPD_ID> (2,102)
WAY-630119

>  <CNC_ID> (2,102)
359351269

>  <transfer_container_id> (2,102)
PTN000000068

>  <COMPOUND_NUMBER> (2,102)
WAY-630119

>  <BAR_CODE_NO> (2,102)
90464441

>  <LOCATION_CODE> (2,102)
PTNCS

>  <AMOUNT_CURRENT> (2,102)
32.4

$$$$
WAY-630122
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.2833   -0.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375    1.7333    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 14  1  0  0  0  0
 24 18  1  0  0  0  0
 25 18  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 17 22  1  0  0  0  0
  8  7  2  0  0  0  0
  2  6  2  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,103)
2103

>  <Formula> (2,103)
C19H21N3O4S

>  <MolWeight> (2,103)
387.45274

>  <PCAT_CMPD_ID> (2,103)
WAY-630122

>  <CNC_ID> (2,103)
359351272

>  <transfer_container_id> (2,103)
PTN000000068

>  <COMPOUND_NUMBER> (2,103)
WAY-630122

>  <BAR_CODE_NO> (2,103)
90464445

>  <LOCATION_CODE> (2,103)
PTNCS

>  <AMOUNT_CURRENT> (2,103)
32.7

$$$$
WAY-630135
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.1708    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    3.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7250   -2.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2333    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.1792    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  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  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  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15  2  1  0  0  0  0
 16  8  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  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
  4  8  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,104)
2104

>  <Formula> (2,104)
C16H23NO4

>  <MolWeight> (2,104)
293.35812

>  <PCAT_CMPD_ID> (2,104)
WAY-630135

>  <CNC_ID> (2,104)
359351284

>  <transfer_container_id> (2,104)
PTN000000068

>  <COMPOUND_NUMBER> (2,104)
WAY-630135

>  <BAR_CODE_NO> (2,104)
90464459

>  <LOCATION_CODE> (2,104)
PTNCS

>  <AMOUNT_CURRENT> (2,104)
32.4

$$$$
WAY-630189
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.8167   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.8875    0.0000 S   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
    1.5292   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.2208    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  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  6  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 10  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  2  0  0  0  0
 17 15  2  0  0  0  0
  5  4  1  0  0  0  0
  9  7  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,105)
2105

>  <Formula> (2,105)
C13H10N2OS

>  <MolWeight> (2,105)
242.2963

>  <PCAT_CMPD_ID> (2,105)
WAY-630189

>  <CNC_ID> (2,105)
359351338

>  <transfer_container_id> (2,105)
PTN000000068

>  <COMPOUND_NUMBER> (2,105)
WAY-630189

>  <BAR_CODE_NO> (2,105)
90464516

>  <LOCATION_CODE> (2,105)
PTNCS

>  <AMOUNT_CURRENT> (2,105)
32.9

$$$$
WAY-630205
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7875   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    0.5833    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  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6 12  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  2  0  0  0  0
 15  4  1  0  0  0  0
 16 13  2  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  2 15  2  0  0  0  0
 22 20  2  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,106)
2106

>  <Formula> (2,106)
C18H16N2OS

>  <MolWeight> (2,106)
308.39744

>  <PCAT_CMPD_ID> (2,106)
WAY-630205

>  <CNC_ID> (2,106)
359351354

>  <transfer_container_id> (2,106)
PTN000000068

>  <COMPOUND_NUMBER> (2,106)
WAY-630205

>  <BAR_CODE_NO> (2,106)
90464533

>  <LOCATION_CODE> (2,106)
PTNCS

>  <AMOUNT_CURRENT> (2,106)
32.6

$$$$
WAY-630231
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4375   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    1.1208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1125   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.1583    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
    0.3042    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -4.0292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    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  2  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  6  1  0  0  0  0
  9  5  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 18  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 17  2  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  9  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 14 19  2  0  0  0  0
 24 22  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,107)
2107

>  <Formula> (2,107)
C18H16ClN3O2

>  <MolWeight> (2,107)
341.79154

>  <PCAT_CMPD_ID> (2,107)
WAY-630231

>  <CNC_ID> (2,107)
359351380

>  <transfer_container_id> (2,107)
PTN000000068

>  <COMPOUND_NUMBER> (2,107)
WAY-630231

>  <BAR_CODE_NO> (2,107)
90464559

>  <LOCATION_CODE> (2,107)
PTNCS

>  <AMOUNT_CURRENT> (2,107)
32.9

$$$$
WAY-630235
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.1333   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    2.1458    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  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  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10 17  1  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16  6  2  0  0  0  0
 17  4  1  0  0  0  0
 18  8  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
  5  4  2  0  0  0  0
 14 11  2  0  0  0  0
 12 15  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,108)
2108

>  <Formula> (2,108)
C15H11N5S

>  <MolWeight> (2,108)
293.34634

>  <PCAT_CMPD_ID> (2,108)
WAY-630235

>  <CNC_ID> (2,108)
359351384

>  <transfer_container_id> (2,108)
PTN000000068

>  <COMPOUND_NUMBER> (2,108)
WAY-630235

>  <BAR_CODE_NO> (2,108)
90464563

>  <LOCATION_CODE> (2,108)
PTNCS

>  <AMOUNT_CURRENT> (2,108)
32.5

$$$$
WAY-630290
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.5167    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    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  8  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  5  2  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 16  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 17  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  2  0  0  0  0
 18  6  1  0  0  0  0
 19  2  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  2  0  0  0  0
  4  7  1  0  0  0  0
 15 10  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,109)
2109

>  <Formula> (2,109)
C18H15NO5

>  <MolWeight> (2,109)
325.3154

>  <PCAT_CMPD_ID> (2,109)
WAY-630290

>  <CNC_ID> (2,109)
359351439

>  <transfer_container_id> (2,109)
PTN000000068

>  <COMPOUND_NUMBER> (2,109)
WAY-630290

>  <BAR_CODE_NO> (2,109)
90464619

>  <LOCATION_CODE> (2,109)
PTNCS

>  <AMOUNT_CURRENT> (2,109)
32.4

$$$$
WAY-630312
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6083    1.9083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3208    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    3.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -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  4  1  0  0  0  0
  4  8  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 16  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  3  2  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  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  1  0  0  0  0
 20 17  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
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 11  7  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,110)
2110

>  <Formula> (2,110)
C17H20N2O6

>  <MolWeight> (2,110)
348.3505

>  <PCAT_CMPD_ID> (2,110)
WAY-630312

>  <CNC_ID> (2,110)
359351461

>  <transfer_container_id> (2,110)
PTN000000068

>  <COMPOUND_NUMBER> (2,110)
WAY-630312

>  <BAR_CODE_NO> (2,110)
90464643

>  <LOCATION_CODE> (2,110)
PTNCS

>  <AMOUNT_CURRENT> (2,110)
32.9

$$$$
WAY-630329
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3583   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -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  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  9  3  0  0  0  0
  8  4  2  0  0  0  0
  9 17  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  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15 11  2  0  0  0  0
 16  8  1  0  0  0  0
 17 23  1  0  0  0  0
 18 10  2  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 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 20  2  0  0  0  0
 25 20  1  0  0  0  0
 26 28  1  0  0  0  0
 27 18  1  0  0  0  0
 28 27  1  0  0  0  0
  5  6  1  0  0  0  0
 16 21  2  0  0  0  0
 14 15  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,111)
2111

>  <Formula> (2,111)
C22H18N4O2

>  <MolWeight> (2,111)
370.40392

>  <PCAT_CMPD_ID> (2,111)
WAY-630329

>  <CNC_ID> (2,111)
359351478

>  <transfer_container_id> (2,111)
PTN000000068

>  <COMPOUND_NUMBER> (2,111)
WAY-630329

>  <BAR_CODE_NO> (2,111)
90464660

>  <LOCATION_CODE> (2,111)
PTNCS

>  <AMOUNT_CURRENT> (2,111)
32.7

$$$$
WAY-630338
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.0833   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.1333    0.0000 N   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
    2.0167    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.9417    0.0000 C   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
    0.9625    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -3.0042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.1792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.4167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.0083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375    0.7083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.9792    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  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 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10  5  1  0  0  0  0
 11 13  2  0  0  0  0
 12  6  2  0  0  0  0
 13 17  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18  3  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 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  1  0  0  0  0
 25  7  1  0  0  0  0
  4  7  2  0  0  0  0
 16  5  2  0  0  0  0
  9  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,112)
2112

>  <Formula> (2,112)
C12H9F6N7

>  <MolWeight> (2,112)
365.2371792

>  <PCAT_CMPD_ID> (2,112)
WAY-630338

>  <CNC_ID> (2,112)
359351487

>  <transfer_container_id> (2,112)
PTN000000068

>  <COMPOUND_NUMBER> (2,112)
WAY-630338

>  <BAR_CODE_NO> (2,112)
90464669

>  <LOCATION_CODE> (2,112)
PTNCS

>  <AMOUNT_CURRENT> (2,112)
32.8

$$$$
WAY-630341
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.0542   -0.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0542    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    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  1  0  0  0  0
  4  7  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 13  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 17  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  2  0  0  0  0
 17 19  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22  5  1  0  0  0  0
 23 14  1  0  0  0  0
 24  9  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  9  5  2  0  0  0  0
 25 26  1  0  0  0  0
 14  8  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,113)
2113

>  <Formula> (2,113)
C20H19NO5

>  <MolWeight> (2,113)
353.36856

>  <PCAT_CMPD_ID> (2,113)
WAY-630341

>  <CNC_ID> (2,113)
359351490

>  <transfer_container_id> (2,113)
PTN000000068

>  <COMPOUND_NUMBER> (2,113)
WAY-630341

>  <BAR_CODE_NO> (2,113)
90464672

>  <LOCATION_CODE> (2,113)
PTNCS

>  <AMOUNT_CURRENT> (2,113)
33

$$$$
WAY-630353
csChFnd80/11182011152D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.1042   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.5500    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
   -1.4000   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    3.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  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  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  8  2  0  0  0  0
 13 15  1  0  0  0  0
 14  3  1  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  3  0  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
 21  9  2  0  0  0  0
 22  4  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25  7  1  0  0  0  0
 26 13  1  0  0  0  0
 27 16  1  0  0  0  0
 28 15  1  0  0  0  0
 29 10  1  0  0  0  0
 30 11  1  0  0  0  0
 31 26  1  0  0  0  0
 32 28  1  0  0  0  0
 33 27  1  0  0  0  0
 34 29  2  0  0  0  0
 35 30  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  2  0  0  0  0
 13 16  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (2,114)
2114

>  <Formula> (2,114)
C26H24N4O4S

>  <MolWeight> (2,114)
488.55816

>  <PCAT_CMPD_ID> (2,114)
WAY-630353

>  <CNC_ID> (2,114)
359351501

>  <transfer_container_id> (2,114)
PTN000000068

>  <COMPOUND_NUMBER> (2,114)
WAY-630353

>  <BAR_CODE_NO> (2,114)
90464684

>  <LOCATION_CODE> (2,114)
PTNCS

>  <AMOUNT_CURRENT> (2,114)
32.6

$$$$
WAY-647194
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.2833    2.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -2.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -4.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    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  8  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 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 22  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24  9  1  0  0  0  0
 25 21  2  0  0  0  0
 26 25  1  0  0  0  0
  9  5  1  0  0  0  0
 26 24  2  0  0  0  0
  8 14  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,115)
2115

>  <Formula> (2,115)
C21H23N3O2

>  <MolWeight> (2,115)
349.42622

>  <PCAT_CMPD_ID> (2,115)
WAY-647194

>  <CNC_ID> (2,115)
359351573

>  <transfer_container_id> (2,115)
PTN000000068

>  <COMPOUND_NUMBER> (2,115)
WAY-647194

>  <BAR_CODE_NO> (2,115)
90481812

>  <LOCATION_CODE> (2,115)
PTNCS

>  <AMOUNT_CURRENT> (2,115)
32.9

$$$$
WAY-647198
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.5833    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.6083    0.0000 O   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
    1.3125   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    2.0333    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  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  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  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 10  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 10  3  1  0  0  0  0
 20 18  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,116)
2116

>  <Formula> (2,116)
C16H16N2OS

>  <MolWeight> (2,116)
284.37604

>  <PCAT_CMPD_ID> (2,116)
WAY-647198

>  <CNC_ID> (2,116)
359351577

>  <transfer_container_id> (2,116)
PTN000000068

>  <COMPOUND_NUMBER> (2,116)
WAY-647198

>  <BAR_CODE_NO> (2,116)
90481817

>  <LOCATION_CODE> (2,116)
PTNCS

>  <AMOUNT_CURRENT> (2,116)
33

$$$$
WAY-647228
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.2917   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.8167    0.0000 N   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
   -1.0875    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    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  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  2  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12 17  1  0  0  0  0
 13 11  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 14  1  0  0  0  0
 18 12  2  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 11  1  0  0  0  0
 23 13  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 22  2  0  0  0  0
 28 27  1  0  0  0  0
  4  3  1  0  0  0  0
 26 21  2  0  0  0  0
 13 10  1  0  0  0  0
 28 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,117)
2117

>  <Formula> (2,117)
C21H17N3O4

>  <MolWeight> (2,117)
375.37738

>  <PCAT_CMPD_ID> (2,117)
WAY-647228

>  <CNC_ID> (2,117)
359351607

>  <transfer_container_id> (2,117)
PTN000000068

>  <COMPOUND_NUMBER> (2,117)
WAY-647228

>  <BAR_CODE_NO> (2,117)
90481848

>  <LOCATION_CODE> (2,117)
PTNCS

>  <AMOUNT_CURRENT> (2,117)
32.9

$$$$
WAY-647245
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3333   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750    0.9708    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  1  1  0  0  0  0
  5 13  1  0  0  0  0
  6  4  2  0  0  0  0
  7 15  1  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  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 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  2  9  2  0  0  0  0
 23 19  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,118)
2118

>  <Formula> (2,118)
C18H21N3O2

>  <MolWeight> (2,118)
311.37824

>  <PCAT_CMPD_ID> (2,118)
WAY-647245

>  <CNC_ID> (2,118)
359351624

>  <transfer_container_id> (2,118)
PTN000000068

>  <COMPOUND_NUMBER> (2,118)
WAY-647245

>  <BAR_CODE_NO> (2,118)
90481865

>  <LOCATION_CODE> (2,118)
PTNCS

>  <AMOUNT_CURRENT> (2,118)
32.9

$$$$
WAY-647280
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.1042   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    2.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -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 14  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  6  1  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 15  1  0  0  0  0
 12  3  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  6  2  0  0  0  0
 17 18  1  0  0  0  0
 18  9  1  0  0  0  0
 19  5  1  0  0  0  0
 20 15  1  0  0  0  0
 21  2  1  0  0  0  0
 13 10  2  0  0  0  0
 11  5  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,119)
2119

>  <Formula> (2,119)
C15H14ClNO4

>  <MolWeight> (2,119)
307.72896

>  <PCAT_CMPD_ID> (2,119)
WAY-647280

>  <CNC_ID> (2,119)
359351659

>  <transfer_container_id> (2,119)
PTN000000068

>  <COMPOUND_NUMBER> (2,119)
WAY-647280

>  <BAR_CODE_NO> (2,119)
90481900

>  <LOCATION_CODE> (2,119)
PTNCS

>  <AMOUNT_CURRENT> (2,119)
32.5

$$$$
WAY-647342
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.0208   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    0.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2875    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    1.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1917    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1125    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9625   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -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  5  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  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  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 11  2  0  0  0  0
 15  3  1  0  0  0  0
 16 20  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  2  0  0  0  0
 19  5  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  1  0  0  0  0
 24  9  1  0  0  0  0
 25 11  1  0  0  0  0
 26 13  1  0  0  0  0
 27 14  1  0  0  0  0
 28 22  1  0  0  0  0
 29 19  1  0  0  0  0
 30 19  1  0  0  0  0
 31 23  1  0  0  0  0
 32 31  1  0  0  0  0
 14 10  1  0  0  0  0
  4  3  2  0  0  0  0
  7 13  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,120)
2120

>  <Formula> (2,120)
C24H31N3O3S2

>  <MolWeight> (2,120)
473.65124

>  <PCAT_CMPD_ID> (2,120)
WAY-647342

>  <CNC_ID> (2,120)
359351721

>  <transfer_container_id> (2,120)
PTN000000068

>  <COMPOUND_NUMBER> (2,120)
WAY-647342

>  <BAR_CODE_NO> (2,120)
90481963

>  <LOCATION_CODE> (2,120)
PTNCS

>  <AMOUNT_CURRENT> (2,120)
32.4

$$$$
WAY-647355
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.6167   -0.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.2708    0.0000 C   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
    0.4750    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    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 14  1  0  0  0  0
  5  9  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 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  2  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15 19  1  0  0  0  0
 16  5  2  0  0  0  0
 17 24  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20  3  1  0  0  0  0
 21 12  1  0  0  0  0
 22  3  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 28 15  1  0  0  0  0
 29 26  2  0  0  0  0
 30 28  2  0  0  0  0
 17 25  1  0  0  0  0
 13 23  1  0  0  0  0
 15 10  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,121)
2121

>  <Formula> (2,121)
C22H27N3O4S

>  <MolWeight> (2,121)
429.53248

>  <PCAT_CMPD_ID> (2,121)
WAY-647355

>  <CNC_ID> (2,121)
359351734

>  <transfer_container_id> (2,121)
PTN000000068

>  <COMPOUND_NUMBER> (2,121)
WAY-647355

>  <BAR_CODE_NO> (2,121)
90481976

>  <LOCATION_CODE> (2,121)
PTNCS

>  <AMOUNT_CURRENT> (2,121)
32.7

$$$$
WAY-647364
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0417    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -2.7250    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
   -0.1500   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    3.1458    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  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  8  2  0  0  0  0
 12 10  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 12  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  9  2  0  0  0  0
 21 14  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
  2  3  1  0  0  0  0
 24 23  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,122)
2122

>  <Formula> (2,122)
C20H18N2O2

>  <MolWeight> (2,122)
318.36912

>  <PCAT_CMPD_ID> (2,122)
WAY-647364

>  <CNC_ID> (2,122)
359351743

>  <transfer_container_id> (2,122)
PTN000000068

>  <COMPOUND_NUMBER> (2,122)
WAY-647364

>  <BAR_CODE_NO> (2,122)
90481987

>  <LOCATION_CODE> (2,122)
PTNCS

>  <AMOUNT_CURRENT> (2,122)
32.7

$$$$
WAY-647373
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.4792    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.5583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375    0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -4.9792    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  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 20  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22  3  1  0  0  0  0
 23 16  1  0  0  0  0
 21 22  1  0  0  0  0
 13 14  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,123)
2123

>  <Formula> (2,123)
C18H19NO2S2

>  <MolWeight> (2,123)
345.47896

>  <PCAT_CMPD_ID> (2,123)
WAY-647373

>  <CNC_ID> (2,123)
359351751

>  <transfer_container_id> (2,123)
PTN000000068

>  <COMPOUND_NUMBER> (2,123)
WAY-647373

>  <BAR_CODE_NO> (2,123)
90481996

>  <LOCATION_CODE> (2,123)
PTNCS

>  <AMOUNT_CURRENT> (2,123)
32.4

$$$$
WAY-647494
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.3208    3.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    3.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.0542    0.0000 C   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
   -1.1000    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    3.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -3.7500    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
    0.7417    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    5.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -5.1417    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  6  2  0  0  0  0
  6  4  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 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 20  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  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  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 16  1  0  0  0  0
 25 16  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 28  1  0  0  0  0
 14 19  2  0  0  0  0
 27 26  1  0  0  0  0
  5  2  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,124)
2124

>  <Formula> (2,124)
C20H21N5O3S

>  <MolWeight> (2,124)
411.47744

>  <PCAT_CMPD_ID> (2,124)
WAY-647494

>  <CNC_ID> (2,124)
359351872

>  <transfer_container_id> (2,124)
PTN000000068

>  <COMPOUND_NUMBER> (2,124)
WAY-647494

>  <BAR_CODE_NO> (2,124)
90482121

>  <LOCATION_CODE> (2,124)
PTNCS

>  <AMOUNT_CURRENT> (2,124)
32.7

$$$$
WAY-647614
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -0.8208    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.1958    0.0000 N   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
   -1.6083    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -1.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    2.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -3.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.6083    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  3  2  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  5  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 12  2  0  0  0  0
 14  4  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17  7  1  0  0  0  0
 18 11  2  0  0  0  0
 19 10  2  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 17  1  0  0  0  0
 24 17  2  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
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
  4  6  2  0  0  0  0
 16 14  1  0  0  0  0
 29 28  1  0  0  0  0
 11  9  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,125)
2125

>  <Formula> (2,125)
C21H15N5O2S

>  <MolWeight> (2,125)
401.4411

>  <PCAT_CMPD_ID> (2,125)
WAY-647614

>  <CNC_ID> (2,125)
359351992

>  <transfer_container_id> (2,125)
PTN000000068

>  <COMPOUND_NUMBER> (2,125)
WAY-647614

>  <BAR_CODE_NO> (2,125)
90482242

>  <LOCATION_CODE> (2,125)
PTNCS

>  <AMOUNT_CURRENT> (2,125)
32

$$$$
WAY-647902
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.2667    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -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 14  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  1  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  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18  7  1  0  0  0  0
 19 13  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 21  1  0  0  0  0
  5 10  1  0  0  0  0
 15 13  2  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,126)
2126

>  <Formula> (2,126)
C15H15N3O2S3

>  <MolWeight> (2,126)
365.4935

>  <PCAT_CMPD_ID> (2,126)
WAY-647902

>  <CNC_ID> (2,126)
359352280

>  <transfer_container_id> (2,126)
PTN000000068

>  <COMPOUND_NUMBER> (2,126)
WAY-647902

>  <BAR_CODE_NO> (2,126)
90482532

>  <LOCATION_CODE> (2,126)
PTNCS

>  <AMOUNT_CURRENT> (2,126)
32.9

$$$$
WAY-647906
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.9333   -1.9792    0.0000 N   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
    2.1917    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    2.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -1.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.2750    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  3  1  0  0  0  0
  5  3  2  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  5  1  0  0  0  0
 10  1  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 21  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  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 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23  4  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 11  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 19  1  0  0  0  0
 30 16  1  0  0  0  0
 31 24  1  0  0  0  0
 32 23  1  0  0  0  0
 33 26  1  0  0  0  0
 34 32  1  0  0  0  0
  6  8  1  0  0  0  0
 22 25  2  0  0  0  0
 27 12  2  0  0  0  0
 11  9  2  0  0  0  0
 34 33  1  0  0  0  0
M  END
>  <Mol_ID> (2,127)
2127

>  <Formula> (2,127)
C24H26N8OS

>  <MolWeight> (2,127)
474.58124

>  <PCAT_CMPD_ID> (2,127)
WAY-647906

>  <CNC_ID> (2,127)
359352284

>  <transfer_container_id> (2,127)
PTN000000068

>  <COMPOUND_NUMBER> (2,127)
WAY-647906

>  <BAR_CODE_NO> (2,127)
90482536

>  <LOCATION_CODE> (2,127)
PTNCS

>  <AMOUNT_CURRENT> (2,127)
33

$$$$
WAY-647923
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.8208    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.4500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.9417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  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 12  1  0  0  0  0
 10  6  2  0  0  0  0
 11 13  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 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  3  1  0  0  0  0
 20  5  1  0  0  0  0
 21  8  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 22  2  0  0  0  0
  7 10  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,128)
2128

>  <Formula> (2,128)
C17H17F3N2O3

>  <MolWeight> (2,128)
354.3236896

>  <PCAT_CMPD_ID> (2,128)
WAY-647923

>  <CNC_ID> (2,128)
359352301

>  <transfer_container_id> (2,128)
PTN000000068

>  <COMPOUND_NUMBER> (2,128)
WAY-647923

>  <BAR_CODE_NO> (2,128)
90482553

>  <LOCATION_CODE> (2,128)
PTNCS

>  <AMOUNT_CURRENT> (2,128)
32.2

$$$$
WAY-647932
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.8125    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.1500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2875    1.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -3.4167    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  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10 11  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 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16  2  2  0  0  0  0
 17  3  2  0  0  0  0
 18  9  1  0  0  0  0
 19 26  1  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22  8  1  0  0  0  0
 23 20  1  0  0  0  0
 24 11  2  0  0  0  0
 25 13  1  0  0  0  0
 26 25  2  0  0  0  0
 27 28  1  0  0  0  0
 28 18  2  0  0  0  0
 29  4  1  0  0  0  0
 30 27  1  0  0  0  0
  4  5  1  0  0  0  0
  8 10  1  0  0  0  0
 27 22  2  0  0  0  0
 19 14  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,129)
2129

>  <Formula> (2,129)
C22H18N2O6

>  <MolWeight> (2,129)
406.38812

>  <PCAT_CMPD_ID> (2,129)
WAY-647932

>  <CNC_ID> (2,129)
359352310

>  <transfer_container_id> (2,129)
PTN000000068

>  <COMPOUND_NUMBER> (2,129)
WAY-647932

>  <BAR_CODE_NO> (2,129)
90482562

>  <LOCATION_CODE> (2,129)
PTNCS

>  <AMOUNT_CURRENT> (2,129)
32.6

$$$$
WAY-647938
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.4292    1.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.8375    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  2  0  0  0  0
  5  1  3  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 19  1  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 18  2  0  0  0  0
 14 10  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  5  1  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 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 21  1  0  0  0  0
  9  7  2  0  0  0  0
  8  2  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,130)
2130

>  <Formula> (2,130)
C18H15NO5

>  <MolWeight> (2,130)
325.3154

>  <PCAT_CMPD_ID> (2,130)
WAY-647938

>  <CNC_ID> (2,130)
359352316

>  <transfer_container_id> (2,130)
PTN000000068

>  <COMPOUND_NUMBER> (2,130)
WAY-647938

>  <BAR_CODE_NO> (2,130)
90482569

>  <LOCATION_CODE> (2,130)
PTNCS

>  <AMOUNT_CURRENT> (2,130)
32.6

$$$$
WAY-647966
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -2.4500   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  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  8  1  0  0  0  0
 10 26  1  0  0  0  0
 11  2  2  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  2  0  0  0  0
 21 10  2  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 13  1  0  0  0  0
 26 22  1  0  0  0  0
 27  3  1  0  0  0  0
 28  7  1  0  0  0  0
 29 27  2  0  0  0  0
 30 28  2  0  0  0  0
  7  3  2  0  0  0  0
 29 30  1  0  0  0  0
 25 12  1  0  0  0  0
 14 24  1  0  0  0  0
 23 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,131)
2131

>  <Formula> (2,131)
C23H27N3O4

>  <MolWeight> (2,131)
409.47818

>  <PCAT_CMPD_ID> (2,131)
WAY-647966

>  <CNC_ID> (2,131)
359352344

>  <transfer_container_id> (2,131)
PTN000000068

>  <COMPOUND_NUMBER> (2,131)
WAY-647966

>  <BAR_CODE_NO> (2,131)
90482598

>  <LOCATION_CODE> (2,131)
PTNCS

>  <AMOUNT_CURRENT> (2,131)
32.1

$$$$
WAY-647978
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.0833   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.3417    0.0000 N   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
   -0.8708   -2.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    2.2875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.5458    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
   -0.2333    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    4.2917    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  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  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  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 22  1  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 12  1  0  0  0  0
 24 15  2  0  0  0  0
 25 16  2  0  0  0  0
 26 23  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
  9  8  2  0  0  0  0
  6  7  2  0  0  0  0
 25 24  1  0  0  0  0
 28 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,132)
2132

>  <Formula> (2,132)
C20H19FN4O2S

>  <MolWeight> (2,132)
398.4538632

>  <PCAT_CMPD_ID> (2,132)
WAY-647978

>  <CNC_ID> (2,132)
359352356

>  <transfer_container_id> (2,132)
PTN000000068

>  <COMPOUND_NUMBER> (2,132)
WAY-647978

>  <BAR_CODE_NO> (2,132)
90482611

>  <LOCATION_CODE> (2,132)
PTNCS

>  <AMOUNT_CURRENT> (2,132)
32.4

$$$$
WAY-648078
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.7375    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    1.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0250   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833    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 10  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  2  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  2  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14  4  1  0  0  0  0
 15  1  1  0  0  0  0
 16  6  1  0  0  0  0
 17 20  1  0  0  0  0
 18  8  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  1  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 17  9  2  0  0  0  0
  8  6  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,133)
2133

>  <Formula> (2,133)
C17H18N2O4

>  <MolWeight> (2,133)
314.33582

>  <PCAT_CMPD_ID> (2,133)
WAY-648078

>  <CNC_ID> (2,133)
359352456

>  <transfer_container_id> (2,133)
PTN000000068

>  <COMPOUND_NUMBER> (2,133)
WAY-648078

>  <BAR_CODE_NO> (2,133)
90482712

>  <LOCATION_CODE> (2,133)
PTNCS

>  <AMOUNT_CURRENT> (2,133)
32.5

$$$$
WAY-648211
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.9667    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2417    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    0.6625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7333   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -0.5417    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  3  1  0  0  0  0
  6 11  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 14  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 10  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18  2  1  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
 22 18  1  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  2  0  0  0  0
 26 20  2  0  0  0  0
 15  9  2  0  0  0  0
 12 13  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,134)
2134

>  <Formula> (2,134)
C19H22N4O3

>  <MolWeight> (2,134)
354.40298

>  <PCAT_CMPD_ID> (2,134)
WAY-648211

>  <CNC_ID> (2,134)
359352589

>  <transfer_container_id> (2,134)
PTN000000068

>  <COMPOUND_NUMBER> (2,134)
WAY-648211

>  <BAR_CODE_NO> (2,134)
90482848

>  <LOCATION_CODE> (2,134)
PTNCS

>  <AMOUNT_CURRENT> (2,134)
32.8

$$$$
WAY-648330
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.4250    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    2.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    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  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  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 11  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
  4  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14 17  2  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,135)
2135

>  <Formula> (2,135)
C17H14N4OS

>  <MolWeight> (2,135)
322.38426

>  <PCAT_CMPD_ID> (2,135)
WAY-648330

>  <CNC_ID> (2,135)
359352708

>  <transfer_container_id> (2,135)
PTN000000068

>  <COMPOUND_NUMBER> (2,135)
WAY-648330

>  <BAR_CODE_NO> (2,135)
90482969

>  <LOCATION_CODE> (2,135)
PTNCS

>  <AMOUNT_CURRENT> (2,135)
32.3

$$$$
WAY-648679
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2542    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.7292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7458   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.1750    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
    0.9667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.7542    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  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 10  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  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 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  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
  7  8  2  0  0  0  0
 21 19  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,136)
2136

>  <Formula> (2,136)
C15H13N3O2S

>  <MolWeight> (2,136)
299.34762

>  <PCAT_CMPD_ID> (2,136)
WAY-648679

>  <CNC_ID> (2,136)
359353057

>  <transfer_container_id> (2,136)
PTN000000068

>  <COMPOUND_NUMBER> (2,136)
WAY-648679

>  <BAR_CODE_NO> (2,136)
90483322

>  <LOCATION_CODE> (2,136)
PTNCS

>  <AMOUNT_CURRENT> (2,136)
32.4

$$$$
WAY-648757
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.0083   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    2.2125    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  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  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 15  2  0  0  0  0
 14  7  1  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
  2  5  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,137)
2137

>  <Formula> (2,137)
C10H7FN2O4

>  <MolWeight> (2,137)
238.1719832

>  <PCAT_CMPD_ID> (2,137)
WAY-648757

>  <CNC_ID> (2,137)
359353135

>  <transfer_container_id> (2,137)
PTN000000068

>  <COMPOUND_NUMBER> (2,137)
WAY-648757

>  <BAR_CODE_NO> (2,137)
90483400

>  <LOCATION_CODE> (2,137)
PTNCS

>  <AMOUNT_CURRENT> (2,137)
32.3

$$$$
WAY-648814
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.3375   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  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  2  1  0  0  0  0
  7 14  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  3  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  1  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 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
 20 23  1  0  0  0  0
  3  6  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,138)
2138

>  <Formula> (2,138)
C18H20N2O4

>  <MolWeight> (2,138)
328.3624

>  <PCAT_CMPD_ID> (2,138)
WAY-648814

>  <CNC_ID> (2,138)
359353192

>  <transfer_container_id> (2,138)
PTN000000068

>  <COMPOUND_NUMBER> (2,138)
WAY-648814

>  <BAR_CODE_NO> (2,138)
90483457

>  <LOCATION_CODE> (2,138)
PTNCS

>  <AMOUNT_CURRENT> (2,138)
32.5

$$$$
WAY-648830
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.3167    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    3.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    3.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -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  3  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 16  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 11  2  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  7  2  0  0  0  0
 19  7  1  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
 25 19  2  0  0  0  0
 26 19  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
  8  5  1  0  0  0  0
 10 13  1  0  0  0  0
  9 17  1  0  0  0  0
 22 24  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,139)
2139

>  <Formula> (2,139)
C24H22N4OS

>  <MolWeight> (2,139)
414.52268

>  <PCAT_CMPD_ID> (2,139)
WAY-648830

>  <CNC_ID> (2,139)
359353208

>  <transfer_container_id> (2,139)
PTN000000068

>  <COMPOUND_NUMBER> (2,139)
WAY-648830

>  <BAR_CODE_NO> (2,139)
90483473

>  <LOCATION_CODE> (2,139)
PTNCS

>  <AMOUNT_CURRENT> (2,139)
32.6

$$$$
WAY-648925
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.1833   -3.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -4.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    4.8042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    4.6375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3417    5.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -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  9  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 13  1  0  0  0  0
  8  1  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13 20  2  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  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 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28  4  1  0  0  0  0
 29  6  1  0  0  0  0
  5  6  1  0  0  0  0
 13 21  1  0  0  0  0
  9 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,140)
2140

>  <Formula> (2,140)
C20H18N4O5

>  <MolWeight> (2,140)
394.38072

>  <PCAT_CMPD_ID> (2,140)
WAY-648925

>  <CNC_ID> (2,140)
359353302

>  <transfer_container_id> (2,140)
PTN000000068

>  <COMPOUND_NUMBER> (2,140)
WAY-648925

>  <BAR_CODE_NO> (2,140)
90483568

>  <LOCATION_CODE> (2,140)
PTNCS

>  <AMOUNT_CURRENT> (2,140)
32.9

$$$$
CL-414992
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2611   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3956    0.0516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2611   -1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3956    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0059   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335   -1.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2611    1.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3113    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232   -1.4174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0059   -1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1768   -0.4484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734   -0.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    1.0206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7458    0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734    1.5240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7458    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113   -0.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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  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
  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> (2,141)
2141

>  <Formula> (2,141)
C15H16N4O2S

>  <MolWeight> (2,141)
316.37814

>  <PCAT_CMPD_ID> (2,141)
CL-414992

>  <CNC_ID> (2,141)
359353769

>  <transfer_container_id> (2,141)
PTN000000069

>  <COMPOUND_NUMBER> (2,141)
CL-414992

>  <BAR_CODE_NO> (2,141)
90448096

>  <LOCATION_CODE> (2,141)
PTNCS

>  <AMOUNT_CURRENT> (2,141)
32.8

$$$$
WAY-274710
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1125    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    3.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    3.6250    0.0000 N   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
   -2.6083    2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.2083    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  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  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  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  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 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  9  2  0  0  0  0
 13 12  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,142)
2142

>  <Formula> (2,142)
C15H15N5OS2

>  <MolWeight> (2,142)
345.4425

>  <PCAT_CMPD_ID> (2,142)
WAY-274710

>  <CNC_ID> (2,142)
359354849

>  <transfer_container_id> (2,142)
PTN000000069

>  <COMPOUND_NUMBER> (2,142)
WAY-274710

>  <BAR_CODE_NO> (2,142)
392655

>  <LOCATION_CODE> (2,142)
PTNCS

>  <AMOUNT_CURRENT> (2,142)
32.5

$$$$
WAY-274713
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.3333    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    3.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6 11  1  0  0  0  0
  7  2  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  4  1  0  0  0  0
 12  8  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  9  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 20  1  0  0  0  0
 24 23  2  0  0  0  0
  7  5  2  0  0  0  0
 24 22  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,143)
2143

>  <Formula> (2,143)
C18H17N3O2S

>  <MolWeight> (2,143)
339.41148

>  <PCAT_CMPD_ID> (2,143)
WAY-274713

>  <CNC_ID> (2,143)
359354852

>  <transfer_container_id> (2,143)
PTN000000069

>  <COMPOUND_NUMBER> (2,143)
WAY-274713

>  <BAR_CODE_NO> (2,143)
392658

>  <LOCATION_CODE> (2,143)
PTNCS

>  <AMOUNT_CURRENT> (2,143)
32.5

$$$$
WAY-274735
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1125    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    3.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    3.6250    0.0000 N   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
   -3.9125    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    2.8750    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
   -1.1708    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 11  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  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 17  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  2  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 15  2  0  0  0  0
 19 10  2  0  0  0  0
 20  9  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
  6  9  2  0  0  0  0
 14 13  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,144)
2144

>  <Formula> (2,144)
C15H15N5OS2

>  <MolWeight> (2,144)
345.4425

>  <PCAT_CMPD_ID> (2,144)
WAY-274735

>  <CNC_ID> (2,144)
359354874

>  <transfer_container_id> (2,144)
PTN000000069

>  <COMPOUND_NUMBER> (2,144)
WAY-274735

>  <BAR_CODE_NO> (2,144)
392680

>  <LOCATION_CODE> (2,144)
PTNCS

>  <AMOUNT_CURRENT> (2,144)
32.5

$$$$
WAY-274740
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.9125    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    3.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.2083    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  2  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  2  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  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  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 18 14  2  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 18  1  0  0  0  0
 11  5  1  0  0  0  0
 21 18  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,145)
2145

>  <Formula> (2,145)
C15H14N4OS2

>  <MolWeight> (2,145)
330.42786

>  <PCAT_CMPD_ID> (2,145)
WAY-274740

>  <CNC_ID> (2,145)
359354879

>  <transfer_container_id> (2,145)
PTN000000069

>  <COMPOUND_NUMBER> (2,145)
WAY-274740

>  <BAR_CODE_NO> (2,145)
392685

>  <LOCATION_CODE> (2,145)
PTNCS

>  <AMOUNT_CURRENT> (2,145)
32.5

$$$$
WAY-274747
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.8458    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    2.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    3.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    3.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    2.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.0458    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
   -4.4958    1.3000    0.0000 C   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
   -4.4958    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    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  5  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  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 18  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 11  2  0  0  0  0
 18 10  1  0  0  0  0
 19  4  2  0  0  0  0
 20  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 16  1  0  0  0  0
 13  6  1  0  0  0  0
 22 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,146)
2146

>  <Formula> (2,146)
C16H16N4OS2

>  <MolWeight> (2,146)
344.45444

>  <PCAT_CMPD_ID> (2,146)
WAY-274747

>  <CNC_ID> (2,146)
359354886

>  <transfer_container_id> (2,146)
PTN000000069

>  <COMPOUND_NUMBER> (2,146)
WAY-274747

>  <BAR_CODE_NO> (2,146)
392692

>  <LOCATION_CODE> (2,146)
PTNCS

>  <AMOUNT_CURRENT> (2,146)
32.5

$$$$
WAY-269005
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.1583    2.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9833    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6542    1.3458    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
   -1.7333    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    3.8458    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  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  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 14  2  0  0  0  0
 14 12  1  0  0  0  0
 15  2  1  0  0  0  0
 16  5  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
 21 13  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
 24 23  1  0  0  0  0
 17 16  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,147)
2147

>  <Formula> (2,147)
C20H22N2O2

>  <MolWeight> (2,147)
322.40088

>  <PCAT_CMPD_ID> (2,147)
WAY-269005

>  <CNC_ID> (2,147)
359354308

>  <transfer_container_id> (2,147)
PTN000000069

>  <COMPOUND_NUMBER> (2,147)
WAY-269005

>  <BAR_CODE_NO> (2,147)
394874

>  <LOCATION_CODE> (2,147)
PTNCS

>  <AMOUNT_CURRENT> (2,147)
32.5

$$$$
WAY-269008
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.1583    2.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    0.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2875    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9708    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9875    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6500    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6292    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3250    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    4.2542    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
   -1.0333    3.8458    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  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  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 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  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
 13 14  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,148)
2148

>  <Formula> (2,148)
C20H22N2O3

>  <MolWeight> (2,148)
338.40028

>  <PCAT_CMPD_ID> (2,148)
WAY-269008

>  <CNC_ID> (2,148)
359354311

>  <transfer_container_id> (2,148)
PTN000000069

>  <COMPOUND_NUMBER> (2,148)
WAY-269008

>  <BAR_CODE_NO> (2,148)
394877

>  <LOCATION_CODE> (2,148)
PTNCS

>  <AMOUNT_CURRENT> (2,148)
32.5

$$$$
WAY-269042
csChFnd80/11182011152D

 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   -0.6292    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
   -4.0083    0.8208    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
   -5.2458    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125    0.1000    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
   -2.9750    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667   -0.6417    0.0000 O   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
   -6.8750   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7042   -1.3667    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 16  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 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  5  1  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 21  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
 16 18  1  0  0  0  0
  9  6  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,149)
2149

>  <Formula> (2,149)
C21H23N3O3S

>  <MolWeight> (2,149)
397.49062

>  <PCAT_CMPD_ID> (2,149)
WAY-269042

>  <CNC_ID> (2,149)
359354345

>  <transfer_container_id> (2,149)
PTN000000069

>  <COMPOUND_NUMBER> (2,149)
WAY-269042

>  <BAR_CODE_NO> (2,149)
394911

>  <LOCATION_CODE> (2,149)
PTNCS

>  <AMOUNT_CURRENT> (2,149)
32.5

$$$$
WAY-269043
csChFnd80/11182011152D

 27 30  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   -0.6375    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
   -4.0083    0.8208    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
   -5.2458    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2333   -1.3500    0.0000 O   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
   -2.9750    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4667   -0.6417    0.0000 O   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
   -6.8917    0.0708    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    3.0000    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 16  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 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  5  1  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 21  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
  2  3  1  0  0  0  0
 16 18  1  0  0  0  0
  9  6  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,150)
2150

>  <Formula> (2,150)
C20H21N3O3S

>  <MolWeight> (2,150)
383.46404

>  <PCAT_CMPD_ID> (2,150)
WAY-269043

>  <CNC_ID> (2,150)
359354346

>  <transfer_container_id> (2,150)
PTN000000069

>  <COMPOUND_NUMBER> (2,150)
WAY-269043

>  <BAR_CODE_NO> (2,150)
394912

>  <LOCATION_CODE> (2,150)
PTNCS

>  <AMOUNT_CURRENT> (2,150)
32.5

$$$$
WAY-274830
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3333    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    3.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    3.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    3.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    1.3333    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
   -3.9125    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -0.5417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    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  7  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 11  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  1  0  0  0  0
 11 16  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15 11  2  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 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  9  1  0  0  0  0
 14 13  2  0  0  0  0
 19 21  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,151)
2151

>  <Formula> (2,151)
C15H13ClN4O2S

>  <MolWeight> (2,151)
348.80732

>  <PCAT_CMPD_ID> (2,151)
WAY-274830

>  <CNC_ID> (2,151)
359354969

>  <transfer_container_id> (2,151)
PTN000000069

>  <COMPOUND_NUMBER> (2,151)
WAY-274830

>  <BAR_CODE_NO> (2,151)
392775

>  <LOCATION_CODE> (2,151)
PTNCS

>  <AMOUNT_CURRENT> (2,151)
32.5

$$$$
WAY-274897
csChFnd80/11182011152D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.4083    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    2.3333    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
   -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
   -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
   -4.5833    0.9250    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
   -2.4708    4.4792    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
   -0.8583    3.0208    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
   -2.8458    5.2167    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
   -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
   -1.7333   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9750    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1458    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    6.0000    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  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  3  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  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 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  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 13  1  0  0  0  0
 25 13  1  0  0  0  0
 26 13  1  0  0  0  0
 27 20  1  0  0  0  0
  5  6  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,152)
2152

>  <Formula> (2,152)
C20H28N2O4S

>  <MolWeight> (2,152)
392.51232

>  <PCAT_CMPD_ID> (2,152)
WAY-274897

>  <CNC_ID> (2,152)
359355036

>  <transfer_container_id> (2,152)
PTN000000069

>  <COMPOUND_NUMBER> (2,152)
WAY-274897

>  <BAR_CODE_NO> (2,152)
392842

>  <LOCATION_CODE> (2,152)
PTNCS

>  <AMOUNT_CURRENT> (2,152)
32.5

$$$$
WAY-274957
csChFnd80/11182011152D

 15 16  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
   -3.1250    2.5333    0.0000 O   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
   -3.5375    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
   -4.5833    2.7583    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
   -4.8333    1.9750    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
   -0.7208    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    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  2  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  1  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 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
  5  3  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,153)
2153

>  <Formula> (2,153)
C9H9N3O3

>  <MolWeight> (2,153)
207.18606

>  <PCAT_CMPD_ID> (2,153)
WAY-274957

>  <CNC_ID> (2,153)
359355096

>  <transfer_container_id> (2,153)
PTN000000069

>  <COMPOUND_NUMBER> (2,153)
WAY-274957

>  <BAR_CODE_NO> (2,153)
392902

>  <LOCATION_CODE> (2,153)
PTNCS

>  <AMOUNT_CURRENT> (2,153)
32.5

$$$$
WAY-275194
csChFnd80/11182011152D

 22 24  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
    4.1625   -6.7042    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
    5.2292   -5.9125    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
    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
    8.4167   -8.3750    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
    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
    5.5667   -8.4125    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
    3.3542   -6.8917    0.0000 C   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  1  1  0  0  0  0
  4  9  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  4  2  0  0  0  0
  9 16  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 14  1  0  0  0  0
 13  1  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 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  6  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
  5  6  1  0  0  0  0
 19 22  2  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,154)
2154

>  <Formula> (2,154)
C18H18N2O2

>  <MolWeight> (2,154)
294.34772

>  <PCAT_CMPD_ID> (2,154)
WAY-275194

>  <CNC_ID> (2,154)
359355333

>  <transfer_container_id> (2,154)
PTN000000069

>  <COMPOUND_NUMBER> (2,154)
WAY-275194

>  <BAR_CODE_NO> (2,154)
393139

>  <LOCATION_CODE> (2,154)
PTNCS

>  <AMOUNT_CURRENT> (2,154)
32.5

$$$$
WAY-275195
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.5542   -7.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250  -10.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -9.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   -9.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1125   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292  -10.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -9.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542  -10.4167    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  2  2  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 12  1  0  0  0  0
  9  5  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  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 13  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  6  1  0  0  0  0
 14 18  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,155)
2155

>  <Formula> (2,155)
C18H18N2O

>  <MolWeight> (2,155)
278.34832

>  <PCAT_CMPD_ID> (2,155)
WAY-275195

>  <CNC_ID> (2,155)
359355334

>  <transfer_container_id> (2,155)
PTN000000069

>  <COMPOUND_NUMBER> (2,155)
WAY-275195

>  <BAR_CODE_NO> (2,155)
393140

>  <LOCATION_CODE> (2,155)
PTNCS

>  <AMOUNT_CURRENT> (2,155)
32.5

$$$$
WAY-275254
csChFnd80/11182011152D

 23 25  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
   -1.6833    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    5.0292    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
   -2.3625    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  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 19  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
  7  6  2  0  0  0  0
  4  9  1  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,156)
2156

>  <Formula> (2,156)
C18H18N2O3

>  <MolWeight> (2,156)
310.34712

>  <PCAT_CMPD_ID> (2,156)
WAY-275254

>  <CNC_ID> (2,156)
359355393

>  <transfer_container_id> (2,156)
PTN000000069

>  <COMPOUND_NUMBER> (2,156)
WAY-275254

>  <BAR_CODE_NO> (2,156)
393199

>  <LOCATION_CODE> (2,156)
PTNCS

>  <AMOUNT_CURRENT> (2,156)
29.4

$$$$
WAY-275319
csChFnd80/11182011152D

 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
   -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
   -4.5833    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
   -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
   -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
   -1.7375    0.5125    0.0000 C   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
   -1.0208    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.1083    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
   -0.2958    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.3208    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    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  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  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  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 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  2  0  0  0  0
 16 12  1  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 17  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
  4  6  1  0  0  0  0
 20 24  2  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,157)
2157

>  <Formula> (2,157)
C20H20O3S

>  <MolWeight> (2,157)
340.436

>  <PCAT_CMPD_ID> (2,157)
WAY-275319

>  <CNC_ID> (2,157)
359355458

>  <transfer_container_id> (2,157)
PTN000000069

>  <COMPOUND_NUMBER> (2,157)
WAY-275319

>  <BAR_CODE_NO> (2,157)
393264

>  <LOCATION_CODE> (2,157)
PTNCS

>  <AMOUNT_CURRENT> (2,157)
32.5

$$$$
WAY-275358
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.1708    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.4583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -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  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  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  2  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  2  1  0  0  0  0
 17  9  2  0  0  0  0
 18 14  1  0  0  0  0
 19 21  1  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
  6  5  2  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,158)
2158

>  <Formula> (2,158)
C14H15FN2O3S2

>  <MolWeight> (2,158)
342.4089032

>  <PCAT_CMPD_ID> (2,158)
WAY-275358

>  <CNC_ID> (2,158)
359355497

>  <transfer_container_id> (2,158)
PTN000000069

>  <COMPOUND_NUMBER> (2,158)
WAY-275358

>  <BAR_CODE_NO> (2,158)
393303

>  <LOCATION_CODE> (2,158)
PTNCS

>  <AMOUNT_CURRENT> (2,158)
17.3

$$$$
WAY-275395
csChFnd80/11182011152D

 26 28  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
    1.0792   -1.1917    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
    1.4625    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
    2.1417   -0.3625    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
   -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
   -1.3208   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -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  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 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  5  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  5  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 18  1  0  0  0  0
 26 18  1  0  0  0  0
  6  7  1  0  0  0  0
 17 16  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,159)
2159

>  <Formula> (2,159)
C18H21N3O3S2

>  <MolWeight> (2,159)
391.50764

>  <PCAT_CMPD_ID> (2,159)
WAY-275395

>  <CNC_ID> (2,159)
359355534

>  <transfer_container_id> (2,159)
PTN000000069

>  <COMPOUND_NUMBER> (2,159)
WAY-275395

>  <BAR_CODE_NO> (2,159)
393340

>  <LOCATION_CODE> (2,159)
PTNCS

>  <AMOUNT_CURRENT> (2,159)
32.5

$$$$
WAY-275577
csChFnd80/11182011152D

 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
   -3.8625    1.7083    0.0000 C   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
   -4.5833    1.2958    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
   -3.1500    1.2875    0.0000 O   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
   -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
   -4.2708    3.8083    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
   -5.2958    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    1.3000    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
   -6.0042    2.9458    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
   -6.0042    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  4  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  7  1  0  0  0  0
 13  7  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 16  2  0  0  0  0
  5 10  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,160)
2160

>  <Formula> (2,160)
C12H14N2O2S

>  <MolWeight> (2,160)
250.31676

>  <PCAT_CMPD_ID> (2,160)
WAY-275577

>  <CNC_ID> (2,160)
359355716

>  <transfer_container_id> (2,160)
PTN000000069

>  <COMPOUND_NUMBER> (2,160)
WAY-275577

>  <BAR_CODE_NO> (2,160)
393522

>  <LOCATION_CODE> (2,160)
PTNCS

>  <AMOUNT_CURRENT> (2,160)
32.5

$$$$
WAY-275580
csChFnd80/11182011152D

 18 19  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
   -3.8625    1.7083    0.0000 C   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
   -4.5833    1.2958    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
   -3.1500    1.2875    0.0000 O   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
   -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
   -4.2708    3.8083    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
   -5.2958    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125    1.3000    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
   -6.0125    2.9583    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
   -6.7167    2.5458    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  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  4  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  7  1  0  0  0  0
 13  7  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  1  0  0  0  0
 18 16  2  0  0  0  0
  5 10  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,161)
2161

>  <Formula> (2,161)
C13H16N2O2S

>  <MolWeight> (2,161)
264.34334

>  <PCAT_CMPD_ID> (2,161)
WAY-275580

>  <CNC_ID> (2,161)
359355719

>  <transfer_container_id> (2,161)
PTN000000069

>  <COMPOUND_NUMBER> (2,161)
WAY-275580

>  <BAR_CODE_NO> (2,161)
393525

>  <LOCATION_CODE> (2,161)
PTNCS

>  <AMOUNT_CURRENT> (2,161)
32.5

$$$$
WAY-275828
csChFnd80/11182011152D

 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
    0.7917    0.1500    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
   -0.4375    0.8875    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
   -0.0458    0.1708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2125    0.8583    0.0000 C   0  0  3  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
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.8375    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
    1.2792    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    4.4042    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 15  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  2  0  0  0  0
 20 17  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 19  1  0  0  0  0
 25 23  1  0  0  0  0
 10  6  1  0  0  0  0
  5  3  1  0  0  0  0
 16 11  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,162)
2162

>  <Formula> (2,162)
C18H22N4O2S

>  <MolWeight> (2,162)
358.45788

>  <PCAT_CMPD_ID> (2,162)
WAY-275828

>  <CNC_ID> (2,162)
359355964

>  <transfer_container_id> (2,162)
PTN000000069

>  <COMPOUND_NUMBER> (2,162)
WAY-275828

>  <BAR_CODE_NO> (2,162)
393778

>  <LOCATION_CODE> (2,162)
PTNCS

>  <AMOUNT_CURRENT> (2,162)
32.5

$$$$
WAY-275872
csChFnd80/11182011152D

 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
    1.1750   -0.5792    0.0000 C   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
   -0.0083    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.0375    0.0000 O   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
    1.2042    0.8500    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
   -0.4333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5708    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
    1.9917   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.3500    0.0000 C   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
   -0.2750   -2.1417    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
    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
  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 11  1  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20  4  1  0  0  0  0
 21 10  2  0  0  0  0
 22 13  2  0  0  0  0
 23 14  1  0  0  0  0
 24 22  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  2  0  0  0  0
 27 28  2  0  0  0  0
 28 26  1  0  0  0  0
 29 25  2  0  0  0  0
 30 27  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
 29 27  1  0  0  0  0
 17 11  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,163)
2163

>  <Formula> (2,163)
C21H20ClN5O3S

>  <MolWeight> (2,163)
457.9332

>  <PCAT_CMPD_ID> (2,163)
WAY-275872

>  <CNC_ID> (2,163)
359356008

>  <transfer_container_id> (2,163)
PTN000000069

>  <COMPOUND_NUMBER> (2,163)
WAY-275872

>  <BAR_CODE_NO> (2,163)
393818

>  <LOCATION_CODE> (2,163)
PTNCS

>  <AMOUNT_CURRENT> (2,163)
32.5

$$$$
WAY-275900
csChFnd80/11182011152D

 29 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
   -0.0083    1.5958    0.0000 N   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
    1.2125    0.8500    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
    0.0292    3.0208    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
    0.8125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.0375    0.0000 O   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
    0.8792    4.4167    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
   -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
    1.7500   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.1625    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
  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 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  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 14  2  0  0  0  0
 21 14  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  8  1  0  0  0  0
 26 22  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
  8  6  1  0  0  0  0
  5  3  1  0  0  0  0
 22 24  2  0  0  0  0
 13 11  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,164)
2164

>  <Formula> (2,164)
C20H24N4O4S

>  <MolWeight> (2,164)
416.49396

>  <PCAT_CMPD_ID> (2,164)
WAY-275900

>  <CNC_ID> (2,164)
359356036

>  <transfer_container_id> (2,164)
PTN000000069

>  <COMPOUND_NUMBER> (2,164)
WAY-275900

>  <BAR_CODE_NO> (2,164)
393846

>  <LOCATION_CODE> (2,164)
PTNCS

>  <AMOUNT_CURRENT> (2,164)
32.5

$$$$
WAY-275931
csChFnd80/11182011152D

 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
   -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
    1.1750   -0.5792    0.0000 C   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
   -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
    0.7417   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.8500    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
   -0.4333    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    1.5708    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
    1.9917   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.3500    0.0000 C   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
   -0.2750   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    3.6875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    3.7333    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
    0.0500    4.4167    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  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  3  1  0  0  0  0
  9  7  2  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  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  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 10  2  0  0  0  0
 23 14  2  0  0  0  0
 24 15  1  0  0  0  0
 25 23  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  1  0  0  0  0
 28 13  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
  9  6  1  0  0  0  0
  5  3  1  0  0  0  0
 18 11  1  0  0  0  0
 31 26  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,165)
2165

>  <Formula> (2,165)
C21H20FN5O3S

>  <MolWeight> (2,165)
441.4786032

>  <PCAT_CMPD_ID> (2,165)
WAY-275931

>  <CNC_ID> (2,165)
359356067

>  <transfer_container_id> (2,165)
PTN000000069

>  <COMPOUND_NUMBER> (2,165)
WAY-275931

>  <BAR_CODE_NO> (2,165)
393877

>  <LOCATION_CODE> (2,165)
PTNCS

>  <AMOUNT_CURRENT> (2,165)
32.5

$$$$
WAY-275958
csChFnd80/11182011152D

 29 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
   -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
   -0.0083    1.5958    0.0000 N   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
    0.0292    3.0208    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
   -0.0375    0.1708    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
    0.8125    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.9958    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
    1.2667    3.7083    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
   -4.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    3.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    4.4000    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  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  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 12  2  0  0  0  0
 20  4  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  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 18  1  0  0  0  0
 27 17  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
  9  6  1  0  0  0  0
  5  3  1  0  0  0  0
 14 11  1  0  0  0  0
 28 21  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,166)
2166

>  <Formula> (2,166)
C20H24N4O4S

>  <MolWeight> (2,166)
416.49396

>  <PCAT_CMPD_ID> (2,166)
WAY-275958

>  <CNC_ID> (2,166)
359356094

>  <transfer_container_id> (2,166)
PTN000000069

>  <COMPOUND_NUMBER> (2,166)
WAY-275958

>  <BAR_CODE_NO> (2,166)
393904

>  <LOCATION_CODE> (2,166)
PTNCS

>  <AMOUNT_CURRENT> (2,166)
32.5

$$$$
WAY-276393
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.3208    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.5583    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
   -1.1708    2.9833    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
   -1.8833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    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  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  6  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  2  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 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 11  8  1  0  0  0  0
  3  7  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,167)
2167

>  <Formula> (2,167)
C16H15N3O2S

>  <MolWeight> (2,167)
313.3742

>  <PCAT_CMPD_ID> (2,167)
WAY-276393

>  <CNC_ID> (2,167)
359356529

>  <transfer_container_id> (2,167)
PTN000000069

>  <COMPOUND_NUMBER> (2,167)
WAY-276393

>  <BAR_CODE_NO> (2,167)
394342

>  <LOCATION_CODE> (2,167)
PTNCS

>  <AMOUNT_CURRENT> (2,167)
29.5

$$$$
WAY-276394
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.3208    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.5583    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
   -2.6000    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    3.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    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  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  5  1  0  0  0  0
  8  4  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  2  2  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15 19  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20  9  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 10  8  1  0  0  0  0
  3  7  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,168)
2168

>  <Formula> (2,168)
C16H15N3O2S

>  <MolWeight> (2,168)
313.3742

>  <PCAT_CMPD_ID> (2,168)
WAY-276394

>  <CNC_ID> (2,168)
359356530

>  <transfer_container_id> (2,168)
PTN000000069

>  <COMPOUND_NUMBER> (2,168)
WAY-276394

>  <BAR_CODE_NO> (2,168)
394343

>  <LOCATION_CODE> (2,168)
PTNCS

>  <AMOUNT_CURRENT> (2,168)
29.5

$$$$
WAY-276411
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.4083    3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    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
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    4.3917    0.0000 O   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
   -4.5958    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    6.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    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
   -1.4625    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0042    2.5708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.1833    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
   -1.2958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    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  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  2  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  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  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 10  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
  5  4  1  0  0  0  0
 13 23  2  0  0  0  0
 17 14  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,169)
2169

>  <Formula> (2,169)
C19H19ClN2O2

>  <MolWeight> (2,169)
342.81936

>  <PCAT_CMPD_ID> (2,169)
WAY-276411

>  <CNC_ID> (2,169)
359356547

>  <transfer_container_id> (2,169)
PTN000000069

>  <COMPOUND_NUMBER> (2,169)
WAY-276411

>  <BAR_CODE_NO> (2,169)
394360

>  <LOCATION_CODE> (2,169)
PTNCS

>  <AMOUNT_CURRENT> (2,169)
32.5

$$$$
WAY-276413
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.4083    3.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    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
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    4.3917    0.0000 O   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
   -4.5958    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    6.0250    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
   -5.2958    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125    2.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.1833    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
   -1.2958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    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  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  2  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  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  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 10  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
  5  4  1  0  0  0  0
 13 23  2  0  0  0  0
 17 14  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,170)
2170

>  <Formula> (2,170)
C19H19FN2O2

>  <MolWeight> (2,170)
326.3647632

>  <PCAT_CMPD_ID> (2,170)
WAY-276413

>  <CNC_ID> (2,170)
359356549

>  <transfer_container_id> (2,170)
PTN000000069

>  <COMPOUND_NUMBER> (2,170)
WAY-276413

>  <BAR_CODE_NO> (2,170)
394362

>  <LOCATION_CODE> (2,170)
PTNCS

>  <AMOUNT_CURRENT> (2,170)
32.5

$$$$
WAY-276532
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.4708    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3917    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -0.8250    0.0000 N   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
   -2.1958    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.4250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.2417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  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  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 14  2  0  0  0  0
 12  2  1  0  0  0  0
 13 18  2  0  0  0  0
 14 16  1  0  0  0  0
 15  3  1  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 23  2  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 19  1  0  0  0  0
 11  3  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,171)
2171

>  <Formula> (2,171)
C16H18Cl2N4S

>  <MolWeight> (2,171)
369.31192

>  <PCAT_CMPD_ID> (2,171)
WAY-276532

>  <CNC_ID> (2,171)
359356668

>  <transfer_container_id> (2,171)
PTN000000069

>  <COMPOUND_NUMBER> (2,171)
WAY-276532

>  <BAR_CODE_NO> (2,171)
394481

>  <LOCATION_CODE> (2,171)
PTNCS

>  <AMOUNT_CURRENT> (2,171)
32.5

$$$$
WAY-276831
csChFnd80/11182011152D

 25 27  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
   -2.2708   -0.0250    0.0000 S   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
    2.4917    4.5917    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
    1.9292    5.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    4.2292    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
    1.1292    5.0250    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
    2.2500    3.8125    0.0000 O   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
   -0.2333    5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    4.6542    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 12  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 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 23  2  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
  4  5  2  0  0  0  0
 24 25  1  0  0  0  0
 22 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,172)
2172

>  <Formula> (2,172)
C18H17N3O3S

>  <MolWeight> (2,172)
355.41088

>  <PCAT_CMPD_ID> (2,172)
WAY-276831

>  <CNC_ID> (2,172)
359356967

>  <transfer_container_id> (2,172)
PTN000000069

>  <COMPOUND_NUMBER> (2,172)
WAY-276831

>  <BAR_CODE_NO> (2,172)
394780

>  <LOCATION_CODE> (2,172)
PTNCS

>  <AMOUNT_CURRENT> (2,172)
32.5

$$$$
WAY-337965
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   11.7125   -5.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6458   -6.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7125   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -6.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000   -2.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -2.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5792   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -2.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042   -7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -9.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -7.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8000   -5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -5.0000    0.0000 C   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
    8.1292   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -9.4250    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  5  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  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  2  0  0  0  0
 13  8  2  0  0  0  0
 14  2  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 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 13  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
  7  6  1  0  0  0  0
 23 15  2  0  0  0  0
  8 10  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,173)
2173

>  <Formula> (2,173)
C19H19ClN2O3

>  <MolWeight> (2,173)
358.81876

>  <PCAT_CMPD_ID> (2,173)
WAY-337965

>  <CNC_ID> (2,173)
359358582

>  <transfer_container_id> (2,173)
PTN000000069

>  <COMPOUND_NUMBER> (2,173)
WAY-337965

>  <BAR_CODE_NO> (2,173)
312966

>  <LOCATION_CODE> (2,173)
PTNCS

>  <AMOUNT_CURRENT> (2,173)
32.5

$$$$
WAY-338331
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.3375   -7.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -6.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -3.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -8.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3750   -9.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -7.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2042   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -4.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -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  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  2  0  0  0  0
  8  1  2  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  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15 18  2  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  3  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 13 11  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,174)
2174

>  <Formula> (2,174)
C14H16N2O4S2

>  <MolWeight> (2,174)
340.41784

>  <PCAT_CMPD_ID> (2,174)
WAY-338331

>  <CNC_ID> (2,174)
359358948

>  <transfer_container_id> (2,174)
PTN000000069

>  <COMPOUND_NUMBER> (2,174)
WAY-338331

>  <BAR_CODE_NO> (2,174)
313332

>  <LOCATION_CODE> (2,174)
PTNCS

>  <AMOUNT_CURRENT> (2,174)
32.5

$$$$
WAY-338336
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.0167  -14.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792  -13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375  -13.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417  -14.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542  -13.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000  -11.4917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5208  -15.2667    0.0000 O   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
    0.1292  -11.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292  -12.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542  -14.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417  -12.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375  -14.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000  -10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583  -12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5625  -12.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542  -11.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500  -14.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292  -10.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250  -14.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542  -12.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625  -11.8417    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  3  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 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15 18  1  0  0  0  0
 16  5  2  0  0  0  0
 17 12  1  0  0  0  0
 18 20  2  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21  3  1  0  0  0  0
 22 15  1  0  0  0  0
 17 14  2  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,175)
2175

>  <Formula> (2,175)
C14H15FN2O3S2

>  <MolWeight> (2,175)
342.4089032

>  <PCAT_CMPD_ID> (2,175)
WAY-338336

>  <CNC_ID> (2,175)
359358953

>  <transfer_container_id> (2,175)
PTN000000069

>  <COMPOUND_NUMBER> (2,175)
WAY-338336

>  <BAR_CODE_NO> (2,175)
313337

>  <LOCATION_CODE> (2,175)
PTNCS

>  <AMOUNT_CURRENT> (2,175)
32.5

$$$$
WAY-338351
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.9917   -4.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -5.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9792   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -2.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7125   -5.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5125   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -8.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417   -6.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -8.5167    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
    4.4250   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   -4.4042    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  4  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  5  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  3  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  2  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  2  0  0  0  0
 21 10  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 21  1  0  0  0  0
  7  5  1  0  0  0  0
 10  9  1  0  0  0  0
 12 15  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,176)
2176

>  <Formula> (2,176)
C19H20N2O4

>  <MolWeight> (2,176)
340.3731

>  <PCAT_CMPD_ID> (2,176)
WAY-338351

>  <CNC_ID> (2,176)
359358968

>  <transfer_container_id> (2,176)
PTN000000069

>  <COMPOUND_NUMBER> (2,176)
WAY-338351

>  <BAR_CODE_NO> (2,176)
313352

>  <LOCATION_CODE> (2,176)
PTNCS

>  <AMOUNT_CURRENT> (2,176)
32.5

$$$$
WAY-338467
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0522    4.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2093    3.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3820    4.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3768    2.3822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    4.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    2.8062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6334    4.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    6.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3139    4.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8218    5.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3035    2.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4188    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6963    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 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
  5  2  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,177)
2177

>  <Formula> (2,177)
C16H15NO3

>  <MolWeight> (2,177)
269.2952

>  <PCAT_CMPD_ID> (2,177)
WAY-338467

>  <CNC_ID> (2,177)
359359084

>  <transfer_container_id> (2,177)
PTN000000069

>  <COMPOUND_NUMBER> (2,177)
WAY-338467

>  <BAR_CODE_NO> (2,177)
313468

>  <LOCATION_CODE> (2,177)
PTNCS

>  <AMOUNT_CURRENT> (2,177)
32.5

$$$$
WAY-337970
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.4542   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -3.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3208   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417   -8.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -8.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.9292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750   -6.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -6.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  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  7  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 22  2  0  0  0  0
 19 10  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 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
  4  5  2  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,178)
2178

>  <Formula> (2,178)
C15H15FN4O5

>  <MolWeight> (2,178)
350.3018032

>  <PCAT_CMPD_ID> (2,178)
WAY-337970

>  <CNC_ID> (2,178)
359358587

>  <transfer_container_id> (2,178)
PTN000000069

>  <COMPOUND_NUMBER> (2,178)
WAY-337970

>  <BAR_CODE_NO> (2,178)
312971

>  <LOCATION_CODE> (2,178)
PTNCS

>  <AMOUNT_CURRENT> (2,178)
32.5

$$$$
WAY-337998
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.3125   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -7.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7917  -10.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -9.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000  -10.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -7.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -8.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -7.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -9.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -3.0917    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
    3.5375   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6167   -4.7250    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
    7.7000   -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  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  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17  7  1  0  0  0  0
 18 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 16  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  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
 27 24  1  0  0  0  0
 28 21  2  0  0  0  0
 29 28  1  0  0  0  0
 30 26  2  0  0  0  0
 10  5  1  0  0  0  0
  7  8  1  0  0  0  0
 22 30  1  0  0  0  0
 23 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,179)
2179

>  <Formula> (2,179)
C21H22N6O3

>  <MolWeight> (2,179)
406.43778

>  <PCAT_CMPD_ID> (2,179)
WAY-337998

>  <CNC_ID> (2,179)
359358615

>  <transfer_container_id> (2,179)
PTN000000069

>  <COMPOUND_NUMBER> (2,179)
WAY-337998

>  <BAR_CODE_NO> (2,179)
312999

>  <LOCATION_CODE> (2,179)
PTNCS

>  <AMOUNT_CURRENT> (2,179)
32.5

$$$$
WAY-338004
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.3000   -7.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -6.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7750   -9.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4583   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -6.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -7.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542   -7.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2375   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -7.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0792   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4583   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4583   -1.4750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -8.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -4.6667    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
   15.9792   -9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792   -4.6417    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  4  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
 15 11  2  0  0  0  0
 16  6  2  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  7  1  0  0  0  0
 21 19  2  0  0  0  0
 22 19  1  0  0  0  0
 23 14  1  0  0  0  0
 24 17  1  0  0  0  0
 25 13  1  0  0  0  0
 26 17  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
 10  5  1  0  0  0  0
  7  8  1  0  0  0  0
 18 21  1  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,180)
2180

>  <Formula> (2,180)
C20H19BrN6O3

>  <MolWeight> (2,180)
471.30726

>  <PCAT_CMPD_ID> (2,180)
WAY-338004

>  <CNC_ID> (2,180)
359358621

>  <transfer_container_id> (2,180)
PTN000000069

>  <COMPOUND_NUMBER> (2,180)
WAY-338004

>  <BAR_CODE_NO> (2,180)
313005

>  <LOCATION_CODE> (2,180)
PTNCS

>  <AMOUNT_CURRENT> (2,180)
32.5

$$$$
WAY-338058
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.0042    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2292    9.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042   11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417   11.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4625    5.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6125   12.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8042    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    5.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   12.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667   13.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1042    5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   16.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -8.4875    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4250    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1042    3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7542    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4042    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7417    3.9708    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  3  2  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  7  1  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 16  1  0  0  0  0
 14  9  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  7  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  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
  6  5  1  0  0  0  0
 13 15  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,181)
2181

>  <Formula> (2,181)
C18H15BrN2O2

>  <MolWeight> (2,181)
371.2279

>  <PCAT_CMPD_ID> (2,181)
WAY-338058

>  <CNC_ID> (2,181)
359358675

>  <transfer_container_id> (2,181)
PTN000000069

>  <COMPOUND_NUMBER> (2,181)
WAY-338058

>  <BAR_CODE_NO> (2,181)
313059

>  <LOCATION_CODE> (2,181)
PTNCS

>  <AMOUNT_CURRENT> (2,181)
32.5

$$$$
WAY-338060
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.0042    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2292    9.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    9.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1417    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042   11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8417   11.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4625    5.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6125   12.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4625    3.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.8583    5.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7583    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667   13.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   12.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   16.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -7.1292    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0875    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7542    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0542    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4042    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3792    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  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  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  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  9  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
  6  5  1  0  0  0  0
 16 14  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,182)
2182

>  <Formula> (2,182)
C18H15BrN2O2

>  <MolWeight> (2,182)
371.2279

>  <PCAT_CMPD_ID> (2,182)
WAY-338060

>  <CNC_ID> (2,182)
359358677

>  <transfer_container_id> (2,182)
PTN000000069

>  <COMPOUND_NUMBER> (2,182)
WAY-338060

>  <BAR_CODE_NO> (2,182)
313061

>  <LOCATION_CODE> (2,182)
PTNCS

>  <AMOUNT_CURRENT> (2,182)
32.5

$$$$
WAY-338092
csChFnd80/11182011152D

 26 28  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
   -6.6542    5.8375    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
   -7.3417   10.3667    0.0000 O   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
   -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
   -9.1250    5.8375    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
   -4.9208   13.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3375    5.1292    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
   -7.9000    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5667    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3375    3.7042    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
  -12.8042    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5500    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7917    3.6958    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  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  5  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  4  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 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  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 21  2  0  0  0  0
 26 25  1  0  0  0  0
  6  5  1  0  0  0  0
 13 10  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,183)
2183

>  <Formula> (2,183)
C20H20N2O4

>  <MolWeight> (2,183)
352.3838

>  <PCAT_CMPD_ID> (2,183)
WAY-338092

>  <CNC_ID> (2,183)
359358709

>  <transfer_container_id> (2,183)
PTN000000069

>  <COMPOUND_NUMBER> (2,183)
WAY-338092

>  <BAR_CODE_NO> (2,183)
313093

>  <LOCATION_CODE> (2,183)
PTNCS

>  <AMOUNT_CURRENT> (2,183)
32.5

$$$$
WAY-338615
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   11.3750   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -5.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1042   -4.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -5.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5125   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -3.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -9.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -9.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -2.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500   -8.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -8.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -4.4417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -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  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  3  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  8  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 20 21  2  0  0  0  0
 21 11  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
  4  5  2  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,184)
2184

>  <Formula> (2,184)
C14H13ClN4O5

>  <MolWeight> (2,184)
352.72982

>  <PCAT_CMPD_ID> (2,184)
WAY-338615

>  <CNC_ID> (2,184)
359359232

>  <transfer_container_id> (2,184)
PTN000000069

>  <COMPOUND_NUMBER> (2,184)
WAY-338615

>  <BAR_CODE_NO> (2,184)
313616

>  <LOCATION_CODE> (2,184)
PTNCS

>  <AMOUNT_CURRENT> (2,184)
32.5

$$$$
WAY-338692
csChFnd80/11182011152D

 26 29  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
   -8.0917    5.2667    0.0000 N   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    3.7958    0.0000 C   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
   -6.8417    3.0500    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
   -9.3625    3.0875    0.0000 C   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
   -5.3958   13.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8542    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3792    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
   -6.1292   14.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1250    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5625    3.7583    0.0000 O   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
  -10.6542    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083    3.0083    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  5  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 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  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
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 13  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 23  1  0  0  0  0
  2  7  2  0  0  0  0
  9 12  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,185)
2185

>  <Formula> (2,185)
C21H18N2O3

>  <MolWeight> (2,185)
346.37922

>  <PCAT_CMPD_ID> (2,185)
WAY-338692

>  <CNC_ID> (2,185)
359359309

>  <transfer_container_id> (2,185)
PTN000000069

>  <COMPOUND_NUMBER> (2,185)
WAY-338692

>  <BAR_CODE_NO> (2,185)
313693

>  <LOCATION_CODE> (2,185)
PTNCS

>  <AMOUNT_CURRENT> (2,185)
32.5

$$$$
WAY-338825
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.6500   -7.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -9.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500   -6.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4250   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7708  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250   -8.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750   -6.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625  -11.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4250    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500    3.1750    0.0000 C   0  0  0  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 11  1  0  0  0  0
  6  3  2  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  7  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  5  2  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 10  6  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,186)
2186

>  <Formula> (2,186)
C12H13N3O4S

>  <MolWeight> (2,186)
295.31432

>  <PCAT_CMPD_ID> (2,186)
WAY-338825

>  <CNC_ID> (2,186)
359359442

>  <transfer_container_id> (2,186)
PTN000000069

>  <COMPOUND_NUMBER> (2,186)
WAY-338825

>  <BAR_CODE_NO> (2,186)
313826

>  <LOCATION_CODE> (2,186)
PTNCS

>  <AMOUNT_CURRENT> (2,186)
32.5

$$$$
WAY-338833
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.1125   -5.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -6.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -5.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -4.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -7.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875   -5.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4000   -3.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  2  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  2  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 14  2  0  0  0  0
 12  5  2  0  0  0  0
 13  4  1  0  0  0  0
 14 18  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 13  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 10  6  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,187)
2187

>  <Formula> (2,187)
C12H13N3O4S

>  <MolWeight> (2,187)
295.31432

>  <PCAT_CMPD_ID> (2,187)
WAY-338833

>  <CNC_ID> (2,187)
359359450

>  <transfer_container_id> (2,187)
PTN000000069

>  <COMPOUND_NUMBER> (2,187)
WAY-338833

>  <BAR_CODE_NO> (2,187)
313834

>  <LOCATION_CODE> (2,187)
PTNCS

>  <AMOUNT_CURRENT> (2,187)
32.5

$$$$
WAY-338965
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.1375   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -4.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -3.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -4.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000   -6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -9.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750   -7.9750    0.0000 O   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
    2.8750   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -8.7125    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  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  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11 13  2  0  0  0  0
 12  8  2  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  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 15  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 17  1  0  0  0  0
 23 20  1  0  0  0  0
  4  3  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,188)
2188

>  <Formula> (2,188)
C16H20N4O3

>  <MolWeight> (2,188)
316.355

>  <PCAT_CMPD_ID> (2,188)
WAY-338965

>  <CNC_ID> (2,188)
359359582

>  <transfer_container_id> (2,188)
PTN000000069

>  <COMPOUND_NUMBER> (2,188)
WAY-338965

>  <BAR_CODE_NO> (2,188)
313966

>  <LOCATION_CODE> (2,188)
PTNCS

>  <AMOUNT_CURRENT> (2,188)
32.5

$$$$
WAY-338969
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   11.5625   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -4.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625   -3.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7375   -4.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1458   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1125   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -8.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -7.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000   -7.1375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6000   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -1.2500    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  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  9  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  8  1  0  0  0  0
 12  8  2  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  6  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 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  4  3  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,189)
2189

>  <Formula> (2,189)
C14H15ClN4O4

>  <MolWeight> (2,189)
338.7463

>  <PCAT_CMPD_ID> (2,189)
WAY-338969

>  <CNC_ID> (2,189)
359359586

>  <transfer_container_id> (2,189)
PTN000000069

>  <COMPOUND_NUMBER> (2,189)
WAY-338969

>  <BAR_CODE_NO> (2,189)
313970

>  <LOCATION_CODE> (2,189)
PTNCS

>  <AMOUNT_CURRENT> (2,189)
32.5

$$$$
WAY-339034
csChFnd80/11182011152D

 31 33  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
   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
   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
   10.5375   -8.3000    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
   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
    5.2625  -12.3250    0.0000 C   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
    5.9750  -11.0000    0.0000 C   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
    7.4750  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375  -13.6125    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
   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
    7.5625  -13.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500  -12.3625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2875  -12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125  -14.9500    0.0000 F   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
   14.3375   -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  6  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  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 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14 16  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 21  1  0  0  0  0
 18  9  2  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 23  2  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 27  2  0  0  0  0
 26 19  2  0  0  0  0
 27 20  1  0  0  0  0
 28  5  1  0  0  0  0
 29  6  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
  4  7  1  0  0  0  0
 26 25  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,190)
2190

>  <Formula> (2,190)
C20H19ClFN3O5S

>  <MolWeight> (2,190)
467.8983632

>  <PCAT_CMPD_ID> (2,190)
WAY-339034

>  <CNC_ID> (2,190)
359359651

>  <transfer_container_id> (2,190)
PTN000000069

>  <COMPOUND_NUMBER> (2,190)
WAY-339034

>  <BAR_CODE_NO> (2,190)
314035

>  <LOCATION_CODE> (2,190)
PTNCS

>  <AMOUNT_CURRENT> (2,190)
32.5

$$$$
WAY-339140
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.1750   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -4.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -4.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -4.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -7.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -8.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5625   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5417  -10.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2917   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125    1.2125    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  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  6  2  0  0  0  0
 12  2  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 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  8  2  0  0  0  0
 21 20  1  0  0  0  0
 22  9  1  0  0  0  0
 23 21  2  0  0  0  0
 24 13  1  0  0  0  0
 25 15  1  0  0  0  0
  3  5  1  0  0  0  0
 23 13  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,191)
2191

>  <Formula> (2,191)
C19H21N5O

>  <MolWeight> (2,191)
335.40294

>  <PCAT_CMPD_ID> (2,191)
WAY-339140

>  <CNC_ID> (2,191)
359359757

>  <transfer_container_id> (2,191)
PTN000000069

>  <COMPOUND_NUMBER> (2,191)
WAY-339140

>  <BAR_CODE_NO> (2,191)
314141

>  <LOCATION_CODE> (2,191)
PTNCS

>  <AMOUNT_CURRENT> (2,191)
32.5

$$$$
WAY-339164
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.1667   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -5.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -4.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9792   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125   -9.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -8.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042  -10.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917  -11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167  -11.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1042   -7.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.5542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125  -12.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.1917    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  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  2  0  0  0  0
 13  2  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16 19  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 15  1  0  0  0  0
 20 10  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 24  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 22  1  0  0  0  0
  3  5  1  0  0  0  0
 16 11  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,192)
2192

>  <Formula> (2,192)
C18H18FN5O3

>  <MolWeight> (2,192)
371.3656232

>  <PCAT_CMPD_ID> (2,192)
WAY-339164

>  <CNC_ID> (2,192)
359359781

>  <transfer_container_id> (2,192)
PTN000000069

>  <COMPOUND_NUMBER> (2,192)
WAY-339164

>  <BAR_CODE_NO> (2,192)
314165

>  <LOCATION_CODE> (2,192)
PTNCS

>  <AMOUNT_CURRENT> (2,192)
32.5

$$$$
WAY-339297
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.3072    8.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5200    7.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5654    8.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3901    8.9610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3450    7.1117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9694    7.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6442    8.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9077    8.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3829    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5957    5.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4207    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0822    9.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1666    7.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9455    7.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3620    0.0000 C   0  0  0  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  2  2  0  0  0  0
  9  5  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  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  2  0  0  0  0
 16 14  2  0  0  0  0
  4  7  2  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,193)
2193

>  <Formula> (2,193)
C11H9ClN2O2

>  <MolWeight> (2,193)
236.65436

>  <PCAT_CMPD_ID> (2,193)
WAY-339297

>  <CNC_ID> (2,193)
359359914

>  <transfer_container_id> (2,193)
PTN000000069

>  <COMPOUND_NUMBER> (2,193)
WAY-339297

>  <BAR_CODE_NO> (2,193)
314298

>  <LOCATION_CODE> (2,193)
PTNCS

>  <AMOUNT_CURRENT> (2,193)
32.5

$$$$
WAY-339298
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.5301    7.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7432    7.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7882    8.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6126    8.1560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5683    6.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    6.8819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8666    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1311    7.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7814    6.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1693    6.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3907    6.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7911    6.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3053    8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8196    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6065    5.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2241    5.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6571    0.0000 C   0  0  0  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  2  2  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 14  1  0  0  0  0
 17 12  1  0  0  0  0
  4  7  2  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,194)
2194

>  <Formula> (2,194)
C12H12N2O3

>  <MolWeight> (2,194)
232.23528

>  <PCAT_CMPD_ID> (2,194)
WAY-339298

>  <CNC_ID> (2,194)
359359915

>  <transfer_container_id> (2,194)
PTN000000069

>  <COMPOUND_NUMBER> (2,194)
WAY-339298

>  <BAR_CODE_NO> (2,194)
314299

>  <LOCATION_CODE> (2,194)
PTNCS

>  <AMOUNT_CURRENT> (2,194)
32.5

$$$$
WAY-339303
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.5049    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7173    7.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7632    8.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5883    8.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5423    6.8085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1674    7.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8425    7.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003    5.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1879    6.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1047    8.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2336    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7547    6.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7921    5.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3546    6.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960    6.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5797    5.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1422    7.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2798    9.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0085    6.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3959    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6084    6.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9585    0.0000 C   0  0  0  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  9  1  0  0  0  0
  9 14  2  0  0  0  0
 10  2  2  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13 16  2  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 12  2  0  0  0  0
 18  3  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
 22 21  1  0  0  0  0
  4  7  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,195)
2195

>  <Formula> (2,195)
C16H18N2O4

>  <MolWeight> (2,195)
302.32512

>  <PCAT_CMPD_ID> (2,195)
WAY-339303

>  <CNC_ID> (2,195)
359359920

>  <transfer_container_id> (2,195)
PTN000000069

>  <COMPOUND_NUMBER> (2,195)
WAY-339303

>  <BAR_CODE_NO> (2,195)
314304

>  <LOCATION_CODE> (2,195)
PTNCS

>  <AMOUNT_CURRENT> (2,195)
32.5

$$$$
WAY-339373
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.0792  -11.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917  -11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -8.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750  -13.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542  -12.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417  -14.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542   -8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -13.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792  -15.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8167  -13.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1250   -9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667  -14.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292  -15.7125    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  5  1  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  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  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  6  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 12  1  0  0  0  0
 15 19  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,196)
2196

>  <Formula> (2,196)
C17H16N2O2S

>  <MolWeight> (2,196)
312.38614

>  <PCAT_CMPD_ID> (2,196)
WAY-339373

>  <CNC_ID> (2,196)
359359990

>  <transfer_container_id> (2,196)
PTN000000069

>  <COMPOUND_NUMBER> (2,196)
WAY-339373

>  <BAR_CODE_NO> (2,196)
314374

>  <LOCATION_CODE> (2,196)
PTNCS

>  <AMOUNT_CURRENT> (2,196)
32.5

$$$$
WAY-339380
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7167  -10.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042  -12.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875   -8.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792  -12.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -9.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792  -11.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750  -13.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8875   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292  -13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167  -15.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917  -14.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000  -13.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542  -13.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7417  -15.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -8.7750    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  5  1  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  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 18  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 17  2  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 20  2  0  0  0  0
 23 22  1  0  0  0  0
  7 12  1  0  0  0  0
 21 23  2  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,197)
2197

>  <Formula> (2,197)
C17H15FN2O2S

>  <MolWeight> (2,197)
330.3766032

>  <PCAT_CMPD_ID> (2,197)
WAY-339380

>  <CNC_ID> (2,197)
359359997

>  <transfer_container_id> (2,197)
PTN000000069

>  <COMPOUND_NUMBER> (2,197)
WAY-339380

>  <BAR_CODE_NO> (2,197)
314381

>  <LOCATION_CODE> (2,197)
PTNCS

>  <AMOUNT_CURRENT> (2,197)
32.5

$$$$
WAY-339764
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.2875   -5.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4292   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -2.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -5.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417   -6.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -3.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -3.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042  -10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042  -11.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -1.5542    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  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  1  1  0  0  0  0
  8 14  2  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  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17  2  2  0  0  0  0
 18  3  2  0  0  0  0
 19  9  2  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  4  1  0  0  0  0
 24  5  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 28  1  0  0  0  0
 30 25  1  0  0  0  0
  6  8  1  0  0  0  0
 27 28  2  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,198)
2198

>  <Formula> (2,198)
C20H21N3O6S

>  <MolWeight> (2,198)
431.46224

>  <PCAT_CMPD_ID> (2,198)
WAY-339764

>  <CNC_ID> (2,198)
359360381

>  <transfer_container_id> (2,198)
PTN000000069

>  <COMPOUND_NUMBER> (2,198)
WAY-339764

>  <BAR_CODE_NO> (2,198)
314765

>  <LOCATION_CODE> (2,198)
PTNCS

>  <AMOUNT_CURRENT> (2,198)
32.5

$$$$
WAY-339948
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.9917   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -3.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -2.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4125   -3.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7708   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -5.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   -6.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -7.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -5.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1542   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -5.5500    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
    2.3000   -2.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3917   -9.0292    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  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  7  1  0  0  0  0
 10  9  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  3  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  2  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 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 18  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
  4  2  1  0  0  0  0
 23 28  1  0  0  0  0
 22 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,199)
2199

>  <Formula> (2,199)
C20H22N6O2

>  <MolWeight> (2,199)
378.42768

>  <PCAT_CMPD_ID> (2,199)
WAY-339948

>  <CNC_ID> (2,199)
359360571

>  <transfer_container_id> (2,199)
PTN000000069

>  <COMPOUND_NUMBER> (2,199)
WAY-339948

>  <BAR_CODE_NO> (2,199)
314949

>  <LOCATION_CODE> (2,199)
PTNCS

>  <AMOUNT_CURRENT> (2,199)
32.5

$$$$
WAY-339958
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.8958   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -2.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3292   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -6.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -6.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1917   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7625   -5.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -9.3417    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  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  7  1  0  0  0  0
 10  9  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  3  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  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 12  1  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 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
 29 26  2  0  0  0  0
  4  2  1  0  0  0  0
 22 29  1  0  0  0  0
 23 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,200)
2200

>  <Formula> (2,200)
C19H19ClN6O3

>  <MolWeight> (2,200)
414.84556

>  <PCAT_CMPD_ID> (2,200)
WAY-339958

>  <CNC_ID> (2,200)
359360581

>  <transfer_container_id> (2,200)
PTN000000069

>  <COMPOUND_NUMBER> (2,200)
WAY-339958

>  <BAR_CODE_NO> (2,200)
314959

>  <LOCATION_CODE> (2,200)
PTNCS

>  <AMOUNT_CURRENT> (2,200)
32.5

$$$$
WAY-346863
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.9125  -10.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125   -8.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -9.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -5.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -9.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -8.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -11.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000  -13.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292  -14.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750  -13.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292   -2.4125    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
   15.3125   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -2.4125    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 13  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  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 11  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  1  0  0  0  0
 20  5  2  0  0  0  0
 21 15  1  0  0  0  0
 22  6  2  0  0  0  0
 23 11  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 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 23  2  0  0  0  0
 30 29  1  0  0  0  0
  6  4  1  0  0  0  0
 22 28  1  0  0  0  0
 14  7  1  0  0  0  0
 30 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,201)
2201

>  <Formula> (2,201)
C23H26N4O3

>  <MolWeight> (2,201)
406.47754

>  <PCAT_CMPD_ID> (2,201)
WAY-346863

>  <CNC_ID> (2,201)
359360643

>  <transfer_container_id> (2,201)
PTN000000069

>  <COMPOUND_NUMBER> (2,201)
WAY-346863

>  <BAR_CODE_NO> (2,201)
90465860

>  <LOCATION_CODE> (2,201)
PTNCS

>  <AMOUNT_CURRENT> (2,201)
32.4

$$$$
WAY-613160
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.1708    0.4208    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
    1.2625   -1.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -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  5  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  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  2  0  0  0  0
 12 15  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  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 16  1  0  0  0  0
 19 18  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 19 17  1  0  0  0  0
 12  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,202)
2202

>  <Formula> (2,202)
C12H13N3O2S2

>  <MolWeight> (2,202)
295.38052

>  <PCAT_CMPD_ID> (2,202)
WAY-613160

>  <CNC_ID> (2,202)
359361183

>  <transfer_container_id> (2,202)
PTN000000069

>  <COMPOUND_NUMBER> (2,202)
WAY-613160

>  <BAR_CODE_NO> (2,202)
90447056

>  <LOCATION_CODE> (2,202)
PTNCS

>  <AMOUNT_CURRENT> (2,202)
32.6

$$$$
WAY-613195
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    3.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.8792    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
   -0.6875    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    4.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    3.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    3.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -4.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -4.8625    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  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 14  1  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  3  1  0  0  0  0
 14 12  2  0  0  0  0
 15  3  2  0  0  0  0
 16  3  2  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
 19 17  2  0  0  0  0
 20 17  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 27  1  0  0  0  0
 25 12  1  0  0  0  0
 26 21  1  0  0  0  0
 27 25  2  0  0  0  0
 28 13  1  0  0  0  0
 29 13  1  0  0  0  0
 30 26  1  0  0  0  0
  8  5  2  0  0  0  0
 11 10  1  0  0  0  0
 21 22  2  0  0  0  0
 24  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,203)
2203

>  <Formula> (2,203)
C22H22N2O4S2

>  <MolWeight> (2,203)
442.55108

>  <PCAT_CMPD_ID> (2,203)
WAY-613195

>  <CNC_ID> (2,203)
359361218

>  <transfer_container_id> (2,203)
PTN000000069

>  <COMPOUND_NUMBER> (2,203)
WAY-613195

>  <BAR_CODE_NO> (2,203)
90447095

>  <LOCATION_CODE> (2,203)
PTNCS

>  <AMOUNT_CURRENT> (2,203)
32.6

$$$$
WAY-613212
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5542   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.2250    0.0000 C   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
   -0.4833    1.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2333   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.6417    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
   -0.6583    0.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    0.8500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -3.4667    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  1  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  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16  3  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 17  2  0  0  0  0
 20  4  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  2  0  0  0  0
 23  9  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
  2  9  1  0  0  0  0
 19 18  1  0  0  0  0
 11 10  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,204)
2204

>  <Formula> (2,204)
C18H17FN6O2

>  <MolWeight> (2,204)
368.3649832

>  <PCAT_CMPD_ID> (2,204)
WAY-613212

>  <CNC_ID> (2,204)
359361235

>  <transfer_container_id> (2,204)
PTN000000069

>  <COMPOUND_NUMBER> (2,204)
WAY-613212

>  <BAR_CODE_NO> (2,204)
90447113

>  <LOCATION_CODE> (2,204)
PTNCS

>  <AMOUNT_CURRENT> (2,204)
32.1

$$$$
WAY-613225
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.5375   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.3375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    0.7250    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  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  3  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  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 20 18  1  0  0  0  0
 17 14  2  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,205)
2205

>  <Formula> (2,205)
C14H11ClN2O3

>  <MolWeight> (2,205)
290.70174

>  <PCAT_CMPD_ID> (2,205)
WAY-613225

>  <CNC_ID> (2,205)
359361248

>  <transfer_container_id> (2,205)
PTN000000069

>  <COMPOUND_NUMBER> (2,205)
WAY-613225

>  <BAR_CODE_NO> (2,205)
90447126

>  <LOCATION_CODE> (2,205)
PTNCS

>  <AMOUNT_CURRENT> (2,205)
32.5

$$$$
WAY-613349
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.9125   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.5042    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
    0.5542   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.4958    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
   -2.2625    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    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  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  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  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  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 12  8  1  0  0  0  0
  6  4  1  0  0  0  0
 15 16  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,206)
2206

>  <Formula> (2,206)
C15H13N3OS

>  <MolWeight> (2,206)
283.34822

>  <PCAT_CMPD_ID> (2,206)
WAY-613349

>  <CNC_ID> (2,206)
359361372

>  <transfer_container_id> (2,206)
PTN000000069

>  <COMPOUND_NUMBER> (2,206)
WAY-613349

>  <BAR_CODE_NO> (2,206)
90447254

>  <LOCATION_CODE> (2,206)
PTNCS

>  <AMOUNT_CURRENT> (2,206)
32.3

$$$$
WAY-613351
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.4833    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.8792    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
   -1.7458   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.8458    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  8  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  1  0  0  0  0
 10  3  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  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  1  0  0  0  0
  7  9  2  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,207)
2207

>  <Formula> (2,207)
C11H15N3OS

>  <MolWeight> (2,207)
237.3213

>  <PCAT_CMPD_ID> (2,207)
WAY-613351

>  <CNC_ID> (2,207)
359361374

>  <transfer_container_id> (2,207)
PTN000000069

>  <COMPOUND_NUMBER> (2,207)
WAY-613351

>  <BAR_CODE_NO> (2,207)
90447256

>  <LOCATION_CODE> (2,207)
PTNCS

>  <AMOUNT_CURRENT> (2,207)
32.9

$$$$
WAY-613356
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8069    0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848    0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4556    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8681   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402   -0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0194   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1181    0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944    1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8306   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8027   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -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  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  9  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  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  5  2  0  0  0  0
 14  8  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
  7 11  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,208)
2208

>  <Formula> (2,208)
C9H14N6O2

>  <MolWeight> (2,208)
238.24646

>  <PCAT_CMPD_ID> (2,208)
WAY-613356

>  <CNC_ID> (2,208)
359361379

>  <transfer_container_id> (2,208)
PTN000000069

>  <COMPOUND_NUMBER> (2,208)
WAY-613356

>  <BAR_CODE_NO> (2,208)
90447261

>  <LOCATION_CODE> (2,208)
PTNCS

>  <AMOUNT_CURRENT> (2,208)
32.8

$$$$
WAY-613414
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1000    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -3.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.0917    0.0000 C   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
    2.1292    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    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  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  1  0  0  0  0
 10 20  1  0  0  0  0
 11  7  2  0  0  0  0
 12 19  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  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 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  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
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,209)
2209

>  <Formula> (2,209)
C15H15N3O2S2

>  <MolWeight> (2,209)
333.4285

>  <PCAT_CMPD_ID> (2,209)
WAY-613414

>  <CNC_ID> (2,209)
359361437

>  <transfer_container_id> (2,209)
PTN000000069

>  <COMPOUND_NUMBER> (2,209)
WAY-613414

>  <BAR_CODE_NO> (2,209)
90447319

>  <LOCATION_CODE> (2,209)
PTNCS

>  <AMOUNT_CURRENT> (2,209)
32.9

$$$$
WAY-613464
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5375   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.5417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -2.9542    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    2.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    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  7  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  6  2  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  4  1  0  0  0  0
 12  3  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 21  1  0  0  0  0
 17  5  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 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
 16 22  1  0  0  0  0
 11 14  2  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,210)
2210

>  <Formula> (2,210)
C14H20N4O5S

>  <MolWeight> (2,210)
356.3974

>  <PCAT_CMPD_ID> (2,210)
WAY-613464

>  <CNC_ID> (2,210)
359361487

>  <transfer_container_id> (2,210)
PTN000000069

>  <COMPOUND_NUMBER> (2,210)
WAY-613464

>  <BAR_CODE_NO> (2,210)
90447370

>  <LOCATION_CODE> (2,210)
PTNCS

>  <AMOUNT_CURRENT> (2,210)
32.5

$$$$
WAY-613476
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1917   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -4.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.3667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -3.3667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    2.4083    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 11  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  5  2  0  0  0  0
 13  8  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  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19 15  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 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 19  2  0  0  0  0
 27 24  2  0  0  0  0
 28 25  2  0  0  0  0
  5  2  1  0  0  0  0
 28 26  1  0  0  0  0
 27 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,211)
2211

>  <Formula> (2,211)
C21H17F3N2O2

>  <MolWeight> (2,211)
386.3670896

>  <PCAT_CMPD_ID> (2,211)
WAY-613476

>  <CNC_ID> (2,211)
359361499

>  <transfer_container_id> (2,211)
PTN000000069

>  <COMPOUND_NUMBER> (2,211)
WAY-613476

>  <BAR_CODE_NO> (2,211)
90447383

>  <LOCATION_CODE> (2,211)
PTNCS

>  <AMOUNT_CURRENT> (2,211)
32.6

$$$$
WAY-613532
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.7958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.9708    0.0000 C   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
   -0.2125    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    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
    0.0417    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875   -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  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 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  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  9  2  0  0  0  0
 15  7  1  0  0  0  0
 16 23  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 12  2  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  5  1  0  0  0  0
 25  4  1  0  0  0  0
 26  8  1  0  0  0  0
 27  9  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  2  0  0  0  0
  5  4  2  0  0  0  0
 29 28  1  0  0  0  0
 11 19  2  0  0  0  0
 10 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,212)
2212

>  <Formula> (2,212)
C24H19N3O2

>  <MolWeight> (2,212)
381.42656

>  <PCAT_CMPD_ID> (2,212)
WAY-613532

>  <CNC_ID> (2,212)
359361555

>  <transfer_container_id> (2,212)
PTN000000069

>  <COMPOUND_NUMBER> (2,212)
WAY-613532

>  <BAR_CODE_NO> (2,212)
90447442

>  <LOCATION_CODE> (2,212)
PTNCS

>  <AMOUNT_CURRENT> (2,212)
32.1

$$$$
WAY-613627
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.8208    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.0250    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
  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  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  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  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 11 14  1  0  0  0  0
 20 17  2  0  0  0  0
  5  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,213)
2213

>  <Formula> (2,213)
C14H16N4OS

>  <MolWeight> (2,213)
288.36804

>  <PCAT_CMPD_ID> (2,213)
WAY-613627

>  <CNC_ID> (2,213)
359361650

>  <transfer_container_id> (2,213)
PTN000000069

>  <COMPOUND_NUMBER> (2,213)
WAY-613627

>  <BAR_CODE_NO> (2,213)
90447543

>  <LOCATION_CODE> (2,213)
PTNCS

>  <AMOUNT_CURRENT> (2,213)
33

$$$$
WAY-613630
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.3000   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -2.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.9917    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
    0.8292    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    1.9333    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  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  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  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  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,214)
2214

>  <Formula> (2,214)
C14H15N3OS

>  <MolWeight> (2,214)
273.3534

>  <PCAT_CMPD_ID> (2,214)
WAY-613630

>  <CNC_ID> (2,214)
359361653

>  <transfer_container_id> (2,214)
PTN000000069

>  <COMPOUND_NUMBER> (2,214)
WAY-613630

>  <BAR_CODE_NO> (2,214)
90447546

>  <LOCATION_CODE> (2,214)
PTNCS

>  <AMOUNT_CURRENT> (2,214)
32

$$$$
WAY-613753
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0083   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    3.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -3.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8000   -2.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3083   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -1.2750    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  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 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  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 20  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 10  1  0  0  0  0
 19 21  1  0  0  0  0
  8 13  2  0  0  0  0
  7  4  2  0  0  0  0
M  END
>  <Mol_ID> (2,215)
2215

>  <Formula> (2,215)
C17H21N3O3

>  <MolWeight> (2,215)
315.36694

>  <PCAT_CMPD_ID> (2,215)
WAY-613753

>  <CNC_ID> (2,215)
359361776

>  <transfer_container_id> (2,215)
PTN000000069

>  <COMPOUND_NUMBER> (2,215)
WAY-613753

>  <BAR_CODE_NO> (2,215)
90447672

>  <LOCATION_CODE> (2,215)
PTNCS

>  <AMOUNT_CURRENT> (2,215)
32.6

$$$$
WAY-613761
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.0333   -0.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.0333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6792   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -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  2  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  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  2  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 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21 13  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
 25 21  2  0  0  0  0
 26 22  2  0  0  0  0
 16 13  2  0  0  0  0
 11  6  1  0  0  0  0
 25 26  1  0  0  0  0
 19 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,216)
2216

>  <Formula> (2,216)
C20H17NO4S

>  <MolWeight> (2,216)
367.41828

>  <PCAT_CMPD_ID> (2,216)
WAY-613761

>  <CNC_ID> (2,216)
359361784

>  <transfer_container_id> (2,216)
PTN000000069

>  <COMPOUND_NUMBER> (2,216)
WAY-613761

>  <BAR_CODE_NO> (2,216)
90447680

>  <LOCATION_CODE> (2,216)
PTNCS

>  <AMOUNT_CURRENT> (2,216)
32.8

$$$$
WAY-613883
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8667    1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    2.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    2.2708    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  1  1  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  2  2  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 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  2  0  0  0  0
 18  8  2  0  0  0  0
 19  4  1  0  0  0  0
 20  7  1  0  0  0  0
 21  9  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  3  7  1  0  0  0  0
 23 20  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,217)
2217

>  <Formula> (2,217)
C16H14N2O4S

>  <MolWeight> (2,217)
330.35836

>  <PCAT_CMPD_ID> (2,217)
WAY-613883

>  <CNC_ID> (2,217)
359361906

>  <transfer_container_id> (2,217)
PTN000000069

>  <COMPOUND_NUMBER> (2,217)
WAY-613883

>  <BAR_CODE_NO> (2,217)
90447806

>  <LOCATION_CODE> (2,217)
PTNCS

>  <AMOUNT_CURRENT> (2,217)
32.6

$$$$
WAY-613950
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8250    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -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  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 14  1  0  0  0  0
  8  4  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  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  2  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 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 15  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
  7  5  2  0  0  0  0
 25 24  1  0  0  0  0
 22 16  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,218)
2218

>  <Formula> (2,218)
C20H22N2O3

>  <MolWeight> (2,218)
338.40028

>  <PCAT_CMPD_ID> (2,218)
WAY-613950

>  <CNC_ID> (2,218)
359361973

>  <transfer_container_id> (2,218)
PTN000000069

>  <COMPOUND_NUMBER> (2,218)
WAY-613950

>  <BAR_CODE_NO> (2,218)
90447875

>  <LOCATION_CODE> (2,218)
PTNCS

>  <AMOUNT_CURRENT> (2,218)
32.1

$$$$
WAY-613994
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.3417    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -1.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.0542    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
   -3.5583   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3708   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    3.7208    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  3  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 19  1  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  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  2  0  0  0  0
 17 27  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25  6  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 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
  6  5  1  0  0  0  0
 31 30  1  0  0  0  0
 10 18  2  0  0  0  0
 17 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,219)
2219

>  <Formula> (2,219)
C20H26N4O6S

>  <MolWeight> (2,219)
450.50864

>  <PCAT_CMPD_ID> (2,219)
WAY-613994

>  <CNC_ID> (2,219)
359362017

>  <transfer_container_id> (2,219)
PTN000000069

>  <COMPOUND_NUMBER> (2,219)
WAY-613994

>  <BAR_CODE_NO> (2,219)
90447921

>  <LOCATION_CODE> (2,219)
PTNCS

>  <AMOUNT_CURRENT> (2,219)
32.6

$$$$
WAY-614183
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.0833    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    3.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -3.6167    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  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13  8  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  3  1  0  0  0  0
 18  5  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
 18 17  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,220)
2220

>  <Formula> (2,220)
C16H22N2O2S

>  <MolWeight> (2,220)
306.42308

>  <PCAT_CMPD_ID> (2,220)
WAY-614183

>  <CNC_ID> (2,220)
359362206

>  <transfer_container_id> (2,220)
PTN000000069

>  <COMPOUND_NUMBER> (2,220)
WAY-614183

>  <BAR_CODE_NO> (2,220)
90448113

>  <LOCATION_CODE> (2,220)
PTNCS

>  <AMOUNT_CURRENT> (2,220)
32.5

$$$$
WAY-614209
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6250    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    1.2958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9208    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -3.9542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    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  3  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  4  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  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  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
 21  3  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 25 23  2  0  0  0  0
 11 12  2  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,221)
2221

>  <Formula> (2,221)
C19H17ClN2O3

>  <MolWeight> (2,221)
356.80288

>  <PCAT_CMPD_ID> (2,221)
WAY-614209

>  <CNC_ID> (2,221)
359362232

>  <transfer_container_id> (2,221)
PTN000000069

>  <COMPOUND_NUMBER> (2,221)
WAY-614209

>  <BAR_CODE_NO> (2,221)
90448139

>  <LOCATION_CODE> (2,221)
PTNCS

>  <AMOUNT_CURRENT> (2,221)
32.7

$$$$
WAY-614213
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0708    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.9750    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
    2.7167   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    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  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  6  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  4  1  0  0  0  0
 12  5  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 17  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
  3  5  1  0  0  0  0
 16 12  2  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,222)
2222

>  <Formula> (2,222)
C15H13NO2S

>  <MolWeight> (2,222)
271.33422

>  <PCAT_CMPD_ID> (2,222)
WAY-614213

>  <CNC_ID> (2,222)
359362236

>  <transfer_container_id> (2,222)
PTN000000069

>  <COMPOUND_NUMBER> (2,222)
WAY-614213

>  <BAR_CODE_NO> (2,222)
90448143

>  <LOCATION_CODE> (2,222)
PTNCS

>  <AMOUNT_CURRENT> (2,222)
28.2

$$$$
WAY-614276
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.6500   -0.5322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -1.1822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.4303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    2.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -0.5322    0.0000 C   0  0  0  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  3  1  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  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  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 18  1  0  0  0  0
 18 14  2  0  0  0  0
  7  5  2  0  0  0  0
 17 15  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,223)
2223

>  <Formula> (2,223)
C14H13N3O

>  <MolWeight> (2,223)
239.27252

>  <PCAT_CMPD_ID> (2,223)
WAY-614276

>  <CNC_ID> (2,223)
359362299

>  <transfer_container_id> (2,223)
PTN000000069

>  <COMPOUND_NUMBER> (2,223)
WAY-614276

>  <BAR_CODE_NO> (2,223)
90448206

>  <LOCATION_CODE> (2,223)
PTNCS

>  <AMOUNT_CURRENT> (2,223)
32.9

$$$$
WAY-614277
csChFnd80/11182011152D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -0.0975    0.1618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567   -0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0975   -0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400   -1.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567    0.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1975   -1.5132    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808   -0.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808    0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183    0.7868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433   -1.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1600    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567   -0.2965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400   -1.1590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400    0.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025    1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192    1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817    1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025   -0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600   -0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1433   -1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975   -0.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400    1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400    2.0410    0.0000 C   0  0  0  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  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13 18  2  0  0  0  0
 14  5  2  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 12  1  0  0  0  0
 19  7  1  0  0  0  0
 20 10  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
  9 11  1  0  0  0  0
 15 17  1  0  0  0  0
 13  4  1  0  0  0  0
  6 10  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,224)
2224

>  <Formula> (2,224)
C18H16N4S

>  <MolWeight> (2,224)
320.41144

>  <PCAT_CMPD_ID> (2,224)
WAY-614277

>  <CNC_ID> (2,224)
359362300

>  <transfer_container_id> (2,224)
PTN000000069

>  <COMPOUND_NUMBER> (2,224)
WAY-614277

>  <BAR_CODE_NO> (2,224)
90448207

>  <LOCATION_CODE> (2,224)
PTNCS

>  <AMOUNT_CURRENT> (2,224)
32.7

$$$$
WAY-614321
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.0250    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    2.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.6417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3083   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.5292    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 15  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7 16  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  6  2  0  0  0  0
 12 13  2  0  0  0  0
 13  1  1  0  0  0  0
 14  7  1  0  0  0  0
 15 17  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  1  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 19  2  0  0  0  0
 12  8  1  0  0  0  0
 11  5  1  0  0  0  0
 14  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,225)
2225

>  <Formula> (2,225)
C15H13N3O2S

>  <MolWeight> (2,225)
299.34762

>  <PCAT_CMPD_ID> (2,225)
WAY-614321

>  <CNC_ID> (2,225)
359362344

>  <transfer_container_id> (2,225)
PTN000000069

>  <COMPOUND_NUMBER> (2,225)
WAY-614321

>  <BAR_CODE_NO> (2,225)
90448252

>  <LOCATION_CODE> (2,225)
PTNCS

>  <AMOUNT_CURRENT> (2,225)
32.3

$$$$
WAY-614326
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0167   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -3.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    3.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -2.5625    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
    0.3542    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    3.2708    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  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8 15  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  2  0  0  0  0
 15 18  1  0  0  0  0
 16  4  1  0  0  0  0
 17 12  1  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 11  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  3  2  1  0  0  0  0
 11  5  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,226)
2226

>  <Formula> (2,226)
C18H20N2O3

>  <MolWeight> (2,226)
312.363

>  <PCAT_CMPD_ID> (2,226)
WAY-614326

>  <CNC_ID> (2,226)
359362349

>  <transfer_container_id> (2,226)
PTN000000069

>  <COMPOUND_NUMBER> (2,226)
WAY-614326

>  <BAR_CODE_NO> (2,226)
90448257

>  <LOCATION_CODE> (2,226)
PTNCS

>  <AMOUNT_CURRENT> (2,226)
32.6

$$$$
WAY-614382
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3750   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.4292    0.0000 O   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
    0.3375   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4792   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -0.4292    0.0000 C   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
   -3.2333    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.0167    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
    2.4792   -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  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  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 10  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  9  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  6  4  1  0  0  0  0
 18 14  2  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,227)
2227

>  <Formula> (2,227)
C16H14O5

>  <MolWeight> (2,227)
286.27936

>  <PCAT_CMPD_ID> (2,227)
WAY-614382

>  <CNC_ID> (2,227)
359362405

>  <transfer_container_id> (2,227)
PTN000000069

>  <COMPOUND_NUMBER> (2,227)
WAY-614382

>  <BAR_CODE_NO> (2,227)
90448314

>  <LOCATION_CODE> (2,227)
PTNCS

>  <AMOUNT_CURRENT> (2,227)
32.5

$$$$
WAY-614402
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.3750   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.7917    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
   -2.1958    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    2.1958    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  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  2  2  0  0  0  0
 10 18  1  0  0  0  0
 11  7  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  1  0  0  0  0
 16 19  2  0  0  0  0
 17  8  2  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22 19  1  0  0  0  0
  5  4  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,228)
2228

>  <Formula> (2,228)
C14H15N3O5

>  <MolWeight> (2,228)
305.286

>  <PCAT_CMPD_ID> (2,228)
WAY-614402

>  <CNC_ID> (2,228)
359362425

>  <transfer_container_id> (2,228)
PTN000000069

>  <COMPOUND_NUMBER> (2,228)
WAY-614402

>  <BAR_CODE_NO> (2,228)
90448334

>  <LOCATION_CODE> (2,228)
PTNCS

>  <AMOUNT_CURRENT> (2,228)
32.4

$$$$
WAY-614431
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.4458   -1.6292    0.0000 N   0  3  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
    0.6792    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    1.6833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0833   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -1.0167    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6958   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    3.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    2.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    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  6  1  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  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  1  2  0  0  0  0
 12  5  1  0  0  0  0
 13  3  2  0  0  0  0
 14  5  2  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
  6 15  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,229)
2229

>  <Formula> (2,229)
C11H10N2O6

>  <MolWeight> (2,229)
266.2069

>  <PCAT_CMPD_ID> (2,229)
WAY-614431

>  <CNC_ID> (2,229)
359362454

>  <transfer_container_id> (2,229)
PTN000000069

>  <COMPOUND_NUMBER> (2,229)
WAY-614431

>  <BAR_CODE_NO> (2,229)
90448363

>  <LOCATION_CODE> (2,229)
PTNCS

>  <AMOUNT_CURRENT> (2,229)
32.2

$$$$
WAY-614485
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.5875    2.6208    0.0000 S   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
   -0.1250   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    3.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.6208    0.0000 C   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
   -2.2708   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    3.5833    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  2  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 16  1  0  0  0  0
  9  4  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  7  1  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 13  2  0  0  0  0
 19  8  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  6  1  0  0  0  0
 24  7  2  0  0  0  0
 25 24  1  0  0  0  0
 26  9  1  0  0  0  0
 27 10  1  0  0  0  0
 28 25  2  0  0  0  0
 29 23  1  0  0  0  0
 30 22  1  0  0  0  0
 31 26  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
 28 18  1  0  0  0  0
 34 33  1  0  0  0  0
 10  5  1  0  0  0  0
 27 32  2  0  0  0  0
M  END
>  <Mol_ID> (2,230)
2230

>  <Formula> (2,230)
C24H24N2O7S

>  <MolWeight> (2,230)
484.52156

>  <PCAT_CMPD_ID> (2,230)
WAY-614485

>  <CNC_ID> (2,230)
359362508

>  <transfer_container_id> (2,230)
PTN000000069

>  <COMPOUND_NUMBER> (2,230)
WAY-614485

>  <BAR_CODE_NO> (2,230)
90448418

>  <LOCATION_CODE> (2,230)
PTNCS

>  <AMOUNT_CURRENT> (2,230)
33

$$$$
WAY-614497
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1583    2.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.3833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.5958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6042   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    2.5958    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
   -2.3750    3.4208    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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20  8  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23  3  1  0  0  0  0
 24  4  1  0  0  0  0
 25  5  1  0  0  0  0
 26 13  1  0  0  0  0
 27 23  1  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
 13 16  1  0  0  0  0
 30 26  2  0  0  0  0
 29 25  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,231)
2231

>  <Formula> (2,231)
C23H26N2O5

>  <MolWeight> (2,231)
410.46294

>  <PCAT_CMPD_ID> (2,231)
WAY-614497

>  <CNC_ID> (2,231)
359362520

>  <transfer_container_id> (2,231)
PTN000000069

>  <COMPOUND_NUMBER> (2,231)
WAY-614497

>  <BAR_CODE_NO> (2,231)
90448430

>  <LOCATION_CODE> (2,231)
PTNCS

>  <AMOUNT_CURRENT> (2,231)
32.9

$$$$
WAY-614556
csChFnd80/11182011152D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.5250    0.7708    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
   -0.1875    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -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  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  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  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 11  2  0  0  0  0
 15 12  2  0  0  0  0
  4  9  1  0  0  0  0
  8  7  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,232)
2232

>  <Formula> (2,232)
C11H10N4

>  <MolWeight> (2,232)
198.2239

>  <PCAT_CMPD_ID> (2,232)
WAY-614556

>  <CNC_ID> (2,232)
359362579

>  <transfer_container_id> (2,232)
PTN000000069

>  <COMPOUND_NUMBER> (2,232)
WAY-614556

>  <BAR_CODE_NO> (2,232)
90448492

>  <LOCATION_CODE> (2,232)
PTNCS

>  <AMOUNT_CURRENT> (2,232)
32.7

$$$$
WAY-614608
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.8875    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    2.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -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  1  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6 22  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  8  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  2  0  0  0  0
 13 20  2  0  0  0  0
 14 16  1  0  0  0  0
 15  3  1  0  0  0  0
 16 10  1  0  0  0  0
 17  5  2  0  0  0  0
 18  5  1  0  0  0  0
 19 11  2  0  0  0  0
 20  9  1  0  0  0  0
 21 10  2  0  0  0  0
 22 11  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  2  0  0  0  0
 25 17  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
  4  9  1  0  0  0  0
 13  8  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,233)
2233

>  <Formula> (2,233)
C20H19NO6

>  <MolWeight> (2,233)
369.36796

>  <PCAT_CMPD_ID> (2,233)
WAY-614608

>  <CNC_ID> (2,233)
359362631

>  <transfer_container_id> (2,233)
PTN000000069

>  <COMPOUND_NUMBER> (2,233)
WAY-614608

>  <BAR_CODE_NO> (2,233)
90448544

>  <LOCATION_CODE> (2,233)
PTNCS

>  <AMOUNT_CURRENT> (2,233)
32.4

$$$$
WAY-614610
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.7833   -0.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    2.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    4.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.9958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    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  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  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 15  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 18  1  0  0  0  0
 17 10  2  0  0  0  0
 18 21  2  0  0  0  0
 19 12  1  0  0  0  0
 20  7  1  0  0  0  0
 21 14  1  0  0  0  0
 22  9  1  0  0  0  0
 23 26  1  0  0  0  0
 24 11  1  0  0  0  0
 25 16  1  0  0  0  0
 26 22  2  0  0  0  0
  5  4  1  0  0  0  0
 16 11  2  0  0  0  0
 23 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,234)
2234

>  <Formula> (2,234)
C17H16ClN5OS2

>  <MolWeight> (2,234)
405.92484

>  <PCAT_CMPD_ID> (2,234)
WAY-614610

>  <CNC_ID> (2,234)
359362633

>  <transfer_container_id> (2,234)
PTN000000069

>  <COMPOUND_NUMBER> (2,234)
WAY-614610

>  <BAR_CODE_NO> (2,234)
90448546

>  <LOCATION_CODE> (2,234)
PTNCS

>  <AMOUNT_CURRENT> (2,234)
32.5

$$$$
WAY-614690
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.3083    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.7917    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
    2.7917   -1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.3708    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  1  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  6  2  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  8  2  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 13  1  0  0  0  0
 20 16  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
 12 11  2  0  0  0  0
 10  2  1  0  0  0  0
 21 22  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,235)
2235

>  <Formula> (2,235)
C17H11N3O2S

>  <MolWeight> (2,235)
321.35314

>  <PCAT_CMPD_ID> (2,235)
WAY-614690

>  <CNC_ID> (2,235)
359362713

>  <transfer_container_id> (2,235)
PTN000000069

>  <COMPOUND_NUMBER> (2,235)
WAY-614690

>  <BAR_CODE_NO> (2,235)
90448626

>  <LOCATION_CODE> (2,235)
PTNCS

>  <AMOUNT_CURRENT> (2,235)
32.8

$$$$
WAY-614705
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.0583   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -4.3042    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  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  2  2  0  0  0  0
  9 13  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 17  1  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 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 14  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 24 22  2  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,236)
2236

>  <Formula> (2,236)
C20H24N2O3

>  <MolWeight> (2,236)
340.41616

>  <PCAT_CMPD_ID> (2,236)
WAY-614705

>  <CNC_ID> (2,236)
359362728

>  <transfer_container_id> (2,236)
PTN000000069

>  <COMPOUND_NUMBER> (2,236)
WAY-614705

>  <BAR_CODE_NO> (2,236)
90448642

>  <LOCATION_CODE> (2,236)
PTNCS

>  <AMOUNT_CURRENT> (2,236)
32.2

$$$$
WAY-614778
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6958    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    1.1958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    0.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.8417    0.0000 O   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
    2.0917   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -1.5667    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  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  1  1  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  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  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 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 23  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
  6  5  1  0  0  0  0
 14 17  2  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,237)
2237

>  <Formula> (2,237)
C16H12N2O3S2

>  <MolWeight> (2,237)
344.40808

>  <PCAT_CMPD_ID> (2,237)
WAY-614778

>  <CNC_ID> (2,237)
359362801

>  <transfer_container_id> (2,237)
PTN000000069

>  <COMPOUND_NUMBER> (2,237)
WAY-614778

>  <BAR_CODE_NO> (2,237)
90448717

>  <LOCATION_CODE> (2,237)
PTNCS

>  <AMOUNT_CURRENT> (2,237)
32.8

$$$$
WAY-614779
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.1083   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.0042    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
   -1.8958    0.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.8667    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
    1.7542    2.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.4083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    4.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.4792    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
    2.4667    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    3.7083    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  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 16  1  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 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  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 17  1  0  0  0  0
 22 27  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 12  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
  9  8  1  0  0  0  0
  3  6  2  0  0  0  0
 20 21  2  0  0  0  0
 22 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,238)
2238

>  <Formula> (2,238)
C19H19N3O4S2

>  <MolWeight> (2,238)
417.50186

>  <PCAT_CMPD_ID> (2,238)
WAY-614779

>  <CNC_ID> (2,238)
359362802

>  <transfer_container_id> (2,238)
PTN000000069

>  <COMPOUND_NUMBER> (2,238)
WAY-614779

>  <BAR_CODE_NO> (2,238)
90448718

>  <LOCATION_CODE> (2,238)
PTNCS

>  <AMOUNT_CURRENT> (2,238)
32.4

$$$$
WAY-614849
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3958    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    3.0208    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
   -0.0833   -0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -3.5417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -3.9792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    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  1  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  5  1  0  0  0  0
  8 14  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  1  0  0  0  0
 11 15  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  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  3  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 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
  9 13  1  0  0  0  0
 25 21  2  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,239)
2239

>  <Formula> (2,239)
C18H16F2N2O3

>  <MolWeight> (2,239)
346.3280464

>  <PCAT_CMPD_ID> (2,239)
WAY-614849

>  <CNC_ID> (2,239)
359362872

>  <transfer_container_id> (2,239)
PTN000000069

>  <COMPOUND_NUMBER> (2,239)
WAY-614849

>  <BAR_CODE_NO> (2,239)
90448789

>  <LOCATION_CODE> (2,239)
PTNCS

>  <AMOUNT_CURRENT> (2,239)
32.5

$$$$
WAY-630373
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.6284   -0.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2008    0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8560   -1.1822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629   -0.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663    0.3489    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9525   -0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2732    0.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491    1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.0925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302   -0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7820   -0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233   -0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5164    0.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716   -0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3613    1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4130   -0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3095    0.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,240)
2240

>  <Formula> (2,240)
C15H14N2S

>  <MolWeight> (2,240)
254.35006

>  <PCAT_CMPD_ID> (2,240)
WAY-630373

>  <CNC_ID> (2,240)
359362892

>  <transfer_container_id> (2,240)
PTN000000069

>  <COMPOUND_NUMBER> (2,240)
WAY-630373

>  <BAR_CODE_NO> (2,240)
90464705

>  <LOCATION_CODE> (2,240)
PTNCS

>  <AMOUNT_CURRENT> (2,240)
32.3

$$$$
WAY-630386
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.0458   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.0583    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
  2  6  2  0  0  0  0
  3  4  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  5  2  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 12  1  0  0  0  0
 12  9  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  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 14  2  0  0  0  0
 19 18  1  0  0  0  0
  3  2  1  0  0  0  0
 11 13  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,241)
2241

>  <Formula> (2,241)
C14H13N3OS

>  <MolWeight> (2,241)
271.33752

>  <PCAT_CMPD_ID> (2,241)
WAY-630386

>  <CNC_ID> (2,241)
359362905

>  <transfer_container_id> (2,241)
PTN000000069

>  <COMPOUND_NUMBER> (2,241)
WAY-630386

>  <BAR_CODE_NO> (2,241)
90464719

>  <LOCATION_CODE> (2,241)
PTNCS

>  <AMOUNT_CURRENT> (2,241)
32.1

$$$$
WAY-630390
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4875    0.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4875    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.6750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.1125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -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  6  2  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  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  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 10  1  0  0  0  0
 19 10  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
  4  5  1  0  0  0  0
 23 22  1  0  0  0  0
  9 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,242)
2242

>  <Formula> (2,242)
C16H12F3NO3

>  <MolWeight> (2,242)
323.2665896

>  <PCAT_CMPD_ID> (2,242)
WAY-630390

>  <CNC_ID> (2,242)
359362909

>  <transfer_container_id> (2,242)
PTN000000069

>  <COMPOUND_NUMBER> (2,242)
WAY-630390

>  <BAR_CODE_NO> (2,242)
90464723

>  <LOCATION_CODE> (2,242)
PTNCS

>  <AMOUNT_CURRENT> (2,242)
32.6

$$$$
WAY-630393
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.7375   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.6292    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
    0.5000    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    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  1  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  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  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 17  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
  7  8  2  0  0  0  0
 23 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,243)
2243

>  <Formula> (2,243)
C18H29N3OS

>  <MolWeight> (2,243)
335.50736

>  <PCAT_CMPD_ID> (2,243)
WAY-630393

>  <CNC_ID> (2,243)
359362912

>  <transfer_container_id> (2,243)
PTN000000069

>  <COMPOUND_NUMBER> (2,243)
WAY-630393

>  <BAR_CODE_NO> (2,243)
90464726

>  <LOCATION_CODE> (2,243)
PTNCS

>  <AMOUNT_CURRENT> (2,243)
32.4

$$$$
WAY-630474
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.9792   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    3.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -3.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.1875    0.0000 O   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
    1.4667    0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    3.0083    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  3  1  0  0  0  0
  5 12  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  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12 18  1  0  0  0  0
 13 11  2  0  0  0  0
 14  4  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 15  1  0  0  0  0
 19 12  2  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 16  1  0  0  0  0
 25 16  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
  7  6  2  0  0  0  0
 27 26  1  0  0  0  0
 13 10  1  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,244)
2244

>  <Formula> (2,244)
C22H19N3O4

>  <MolWeight> (2,244)
389.40396

>  <PCAT_CMPD_ID> (2,244)
WAY-630474

>  <CNC_ID> (2,244)
359362993

>  <transfer_container_id> (2,244)
PTN000000069

>  <COMPOUND_NUMBER> (2,244)
WAY-630474

>  <BAR_CODE_NO> (2,244)
90464808

>  <LOCATION_CODE> (2,244)
PTNCS

>  <AMOUNT_CURRENT> (2,244)
32.4

$$$$
WAY-630482
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.0333    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    3.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -2.9042    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 11  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 18  1  0  0  0  0
 12  3  2  0  0  0  0
 13  2  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 15  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  6  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,245)
2245

>  <Formula> (2,245)
C17H25NO3

>  <MolWeight> (2,245)
291.3853

>  <PCAT_CMPD_ID> (2,245)
WAY-630482

>  <CNC_ID> (2,245)
359363001

>  <transfer_container_id> (2,245)
PTN000000069

>  <COMPOUND_NUMBER> (2,245)
WAY-630482

>  <BAR_CODE_NO> (2,245)
90464816

>  <LOCATION_CODE> (2,245)
PTNCS

>  <AMOUNT_CURRENT> (2,245)
32.1

$$$$
WAY-630499
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.7708    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    0.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0375    1.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9458    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5292   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0000   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -1.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.2375    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
    4.0042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    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  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  7  1  0  0  0  0
  9 18  1  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  2  2  0  0  0  0
 14  9  2  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 16  1  0  0  0  0
 19  5  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 11  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
 27 26  1  0  0  0  0
 24 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,246)
2246

>  <Formula> (2,246)
C20H30N2O5

>  <MolWeight> (2,246)
378.4626

>  <PCAT_CMPD_ID> (2,246)
WAY-630499

>  <CNC_ID> (2,246)
359363018

>  <transfer_container_id> (2,246)
PTN000000069

>  <COMPOUND_NUMBER> (2,246)
WAY-630499

>  <BAR_CODE_NO> (2,246)
90464833

>  <LOCATION_CODE> (2,246)
PTNCS

>  <AMOUNT_CURRENT> (2,246)
32

$$$$
WAY-630510
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.6750   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -3.2917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    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  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 14  1  0  0  0  0
  8  3  1  0  0  0  0
  9 16  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18  9  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
  6  5  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,247)
2247

>  <Formula> (2,247)
C16H21NO3S

>  <MolWeight> (2,247)
307.40784

>  <PCAT_CMPD_ID> (2,247)
WAY-630510

>  <CNC_ID> (2,247)
359363029

>  <transfer_container_id> (2,247)
PTN000000069

>  <COMPOUND_NUMBER> (2,247)
WAY-630510

>  <BAR_CODE_NO> (2,247)
90464844

>  <LOCATION_CODE> (2,247)
PTNCS

>  <AMOUNT_CURRENT> (2,247)
32.6

$$$$
WAY-630511
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2958    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.2708    0.0000 N   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
    0.9792    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    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  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  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  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  6  1  0  0  0  0
 18 20  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  2  0  0  0  0
  3  5  1  0  0  0  0
 18  8  2  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,248)
2248

>  <Formula> (2,248)
C15H13N3OS

>  <MolWeight> (2,248)
283.34822

>  <PCAT_CMPD_ID> (2,248)
WAY-630511

>  <CNC_ID> (2,248)
359363030

>  <transfer_container_id> (2,248)
PTN000000069

>  <COMPOUND_NUMBER> (2,248)
WAY-630511

>  <BAR_CODE_NO> (2,248)
90464845

>  <LOCATION_CODE> (2,248)
PTNCS

>  <AMOUNT_CURRENT> (2,248)
32.2

$$$$
WAY-630522
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.7792   -0.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    2.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    4.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.1500    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
   -1.6208   -1.2875    0.0000 C   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
    1.6292   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -3.6542    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  2  2  0  0  0  0
  5 10  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  3  1  0  0  0  0
 10 15  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  4  1  0  0  0  0
 15  8  2  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  9  2  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  7  1  0  0  0  0
 24  7  1  0  0  0  0
 25  9  1  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  1  0  0  0  0
 30 25  2  0  0  0  0
 31 30  1  0  0  0  0
 21 14  2  0  0  0  0
 31 26  2  0  0  0  0
 28 29  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,249)
2249

>  <Formula> (2,249)
C22H23N3O4S2

>  <MolWeight> (2,249)
457.56572

>  <PCAT_CMPD_ID> (2,249)
WAY-630522

>  <CNC_ID> (2,249)
359363041

>  <transfer_container_id> (2,249)
PTN000000069

>  <COMPOUND_NUMBER> (2,249)
WAY-630522

>  <BAR_CODE_NO> (2,249)
90464857

>  <LOCATION_CODE> (2,249)
PTNCS

>  <AMOUNT_CURRENT> (2,249)
32.5

$$$$
WAY-630551
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.9708    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.5833    0.0000 C   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
    0.4625   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.9542    0.0000 C   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
    0.4625   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.8208    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  3  2  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  3  1  0  0  0  0
 10  4  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 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 17  2  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  2  0  0  0  0
  6  5  2  0  0  0  0
 10  8  2  0  0  0  0
 22 23  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,250)
2250

>  <Formula> (2,250)
C16H12N6O

>  <MolWeight> (2,250)
304.30608

>  <PCAT_CMPD_ID> (2,250)
WAY-630551

>  <CNC_ID> (2,250)
359363070

>  <transfer_container_id> (2,250)
PTN000000069

>  <COMPOUND_NUMBER> (2,250)
WAY-630551

>  <BAR_CODE_NO> (2,250)
90464886

>  <LOCATION_CODE> (2,250)
PTNCS

>  <AMOUNT_CURRENT> (2,250)
32.4

$$$$
WAY-630557
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0583   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.4083    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
   -1.3333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.8333    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  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  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  3  0  0  0  0
 12  4  2  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 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
  9  8  2  0  0  0  0
  4  7  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,251)
2251

>  <Formula> (2,251)
C14H11N3O

>  <MolWeight> (2,251)
237.25664

>  <PCAT_CMPD_ID> (2,251)
WAY-630557

>  <CNC_ID> (2,251)
359363076

>  <transfer_container_id> (2,251)
PTN000000069

>  <COMPOUND_NUMBER> (2,251)
WAY-630557

>  <BAR_CODE_NO> (2,251)
90464892

>  <LOCATION_CODE> (2,251)
PTNCS

>  <AMOUNT_CURRENT> (2,251)
32.2

$$$$
WAY-630566
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.3667   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    2.3583    0.0000 C   0  0  0  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  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  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  6  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 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 22  1  0  0  0  0
 22 13  2  0  0  0  0
 23 15  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
 21 14  2  0  0  0  0
 24 18  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,252)
2252

>  <Formula> (2,252)
C23H24N2O2

>  <MolWeight> (2,252)
360.44886

>  <PCAT_CMPD_ID> (2,252)
WAY-630566

>  <CNC_ID> (2,252)
359363085

>  <transfer_container_id> (2,252)
PTN000000069

>  <COMPOUND_NUMBER> (2,252)
WAY-630566

>  <BAR_CODE_NO> (2,252)
90464901

>  <LOCATION_CODE> (2,252)
PTNCS

>  <AMOUNT_CURRENT> (2,252)
32.2

$$$$
WAY-630592
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6375   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    3.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -4.5542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    3.1500    0.0000 C   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
    1.2542    2.5375    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  8  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 20  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 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 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 11  2  0  0  0  0
 22 11  1  0  0  0  0
  3  5  1  0  0  0  0
 15 16  2  0  0  0  0
 10 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,253)
2253

>  <Formula> (2,253)
C15H10ClN3O3

>  <MolWeight> (2,253)
315.7112

>  <PCAT_CMPD_ID> (2,253)
WAY-630592

>  <CNC_ID> (2,253)
359363111

>  <transfer_container_id> (2,253)
PTN000000069

>  <COMPOUND_NUMBER> (2,253)
WAY-630592

>  <BAR_CODE_NO> (2,253)
90464927

>  <LOCATION_CODE> (2,253)
PTNCS

>  <AMOUNT_CURRENT> (2,253)
32.6

$$$$
WAY-630605
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1000    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    2.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -3.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.0917    0.0000 C   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
    2.1292    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -2.5667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1917    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -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  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 15  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 18  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  1  0  0  0  0
 19  5  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,254)
2254

>  <Formula> (2,254)
C15H19N3O3S

>  <MolWeight> (2,254)
321.39466

>  <PCAT_CMPD_ID> (2,254)
WAY-630605

>  <CNC_ID> (2,254)
359363124

>  <transfer_container_id> (2,254)
PTN000000069

>  <COMPOUND_NUMBER> (2,254)
WAY-630605

>  <BAR_CODE_NO> (2,254)
90464941

>  <LOCATION_CODE> (2,254)
PTNCS

>  <AMOUNT_CURRENT> (2,254)
33

$$$$
WAY-630612
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.5042    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    0.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2083    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4833    0.4583    0.0000 C   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
    2.5042    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    0.8708    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 16  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 19  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  2  2  0  0  0  0
 14  1  2  0  0  0  0
 15  6  1  0  0  0  0
 16 20  2  0  0  0  0
 17  3  2  0  0  0  0
 18 13  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23  8  1  0  0  0  0
 15 18  2  0  0  0  0
  9  5  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,255)
2255

>  <Formula> (2,255)
C16H15NO5S

>  <MolWeight> (2,255)
333.359

>  <PCAT_CMPD_ID> (2,255)
WAY-630612

>  <CNC_ID> (2,255)
359363131

>  <transfer_container_id> (2,255)
PTN000000069

>  <COMPOUND_NUMBER> (2,255)
WAY-630612

>  <BAR_CODE_NO> (2,255)
90464948

>  <LOCATION_CODE> (2,255)
PTNCS

>  <AMOUNT_CURRENT> (2,255)
32.4

$$$$
WAY-630614
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.8458   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.9125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2042    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    1.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -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  5  1  0  0  0  0
  4 10  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  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  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 21  1  0  0  0  0
 15  8  1  0  0  0  0
 16  2  2  0  0  0  0
 17  8  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  2  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 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 12  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
  9  3  1  0  0  0  0
 24 23  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,256)
2256

>  <Formula> (2,256)
C19H21N3O5

>  <MolWeight> (2,256)
371.38714

>  <PCAT_CMPD_ID> (2,256)
WAY-630614

>  <CNC_ID> (2,256)
359363133

>  <transfer_container_id> (2,256)
PTN000000069

>  <COMPOUND_NUMBER> (2,256)
WAY-630614

>  <BAR_CODE_NO> (2,256)
90464950

>  <LOCATION_CODE> (2,256)
PTNCS

>  <AMOUNT_CURRENT> (2,256)
32.4

$$$$
WAY-630769
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.3375   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.4333    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
   -1.9708   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.8583    0.0000 C   0  0  0  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  6  3  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  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  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 13  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
  5  3  1  0  0  0  0
 14 16  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,257)
2257

>  <Formula> (2,257)
C17H13N3O2

>  <MolWeight> (2,257)
291.30402

>  <PCAT_CMPD_ID> (2,257)
WAY-630769

>  <CNC_ID> (2,257)
359363288

>  <transfer_container_id> (2,257)
PTN000000069

>  <COMPOUND_NUMBER> (2,257)
WAY-630769

>  <BAR_CODE_NO> (2,257)
90465116

>  <LOCATION_CODE> (2,257)
PTNCS

>  <AMOUNT_CURRENT> (2,257)
32.3

$$$$
WAY-630794
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.7833    2.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -3.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    2.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    3.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.5792    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
   -3.2083    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.8167    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  2  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  2  1  0  0  0  0
  9 18  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  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 21  1  0  0  0  0
 16  3  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20  9  2  0  0  0  0
 21 19  2  0  0  0  0
 22 30  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
 25 12  1  0  0  0  0
 26  4  1  0  0  0  0
 27  4  1  0  0  0  0
 28  8  1  0  0  0  0
 29 10  1  0  0  0  0
 30 24  1  0  0  0  0
 31 23  1  0  0  0  0
 32 28  2  0  0  0  0
 33 32  1  0  0  0  0
 22 31  1  0  0  0  0
 15 12  2  0  0  0  0
  3  5  1  0  0  0  0
 33 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,258)
2258

>  <Formula> (2,258)
C22H24ClN3O6S

>  <MolWeight> (2,258)
493.96046

>  <PCAT_CMPD_ID> (2,258)
WAY-630794

>  <CNC_ID> (2,258)
359363313

>  <transfer_container_id> (2,258)
PTN000000069

>  <COMPOUND_NUMBER> (2,258)
WAY-630794

>  <BAR_CODE_NO> (2,258)
90465142

>  <LOCATION_CODE> (2,258)
PTNCS

>  <AMOUNT_CURRENT> (2,258)
32.2

$$$$
WAY-630925
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4833   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.8917    0.0000 N   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
    0.2375   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.8208    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  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 15  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  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18  5  1  0  0  0  0
 19  4  1  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
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 11 13  1  0  0  0  0
 17  7  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,259)
2259

>  <Formula> (2,259)
C19H19N3O2

>  <MolWeight> (2,259)
321.37306

>  <PCAT_CMPD_ID> (2,259)
WAY-630925

>  <CNC_ID> (2,259)
359363444

>  <transfer_container_id> (2,259)
PTN000000069

>  <COMPOUND_NUMBER> (2,259)
WAY-630925

>  <BAR_CODE_NO> (2,259)
90465274

>  <LOCATION_CODE> (2,259)
PTNCS

>  <AMOUNT_CURRENT> (2,259)
32.3

$$$$
WAY-631007
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.1333   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9917   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    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  9  2  0  0  0  0
  4  2  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  2  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  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  4  1  0  0  0  0
 17  5  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 18  2  0  0  0  0
 22 21  1  0  0  0  0
  3  5  1  0  0  0  0
 11 15  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,260)
2260

>  <Formula> (2,260)
C17H17NO4

>  <MolWeight> (2,260)
299.32118

>  <PCAT_CMPD_ID> (2,260)
WAY-631007

>  <CNC_ID> (2,260)
359363526

>  <transfer_container_id> (2,260)
PTN000000069

>  <COMPOUND_NUMBER> (2,260)
WAY-631007

>  <BAR_CODE_NO> (2,260)
90465358

>  <LOCATION_CODE> (2,260)
PTNCS

>  <AMOUNT_CURRENT> (2,260)
32

$$$$
WAY-631009
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.4625   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.9667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8917   -1.3792    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
    0.4625    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -2.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2500    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.5708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -2.2042    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9  5  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 16  1  0  0  0  0
 15  5  2  0  0  0  0
 16 19  2  0  0  0  0
 17  7  1  0  0  0  0
 18  1  1  0  0  0  0
 19 11  1  0  0  0  0
 20 14  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
 23 21  1  0  0  0  0
  3  6  1  0  0  0  0
 14  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,261)
2261

>  <Formula> (2,261)
C17H21ClN2O3

>  <MolWeight> (2,261)
336.81324

>  <PCAT_CMPD_ID> (2,261)
WAY-631009

>  <CNC_ID> (2,261)
359363528

>  <transfer_container_id> (2,261)
PTN000000069

>  <COMPOUND_NUMBER> (2,261)
WAY-631009

>  <BAR_CODE_NO> (2,261)
90465360

>  <LOCATION_CODE> (2,261)
PTNCS

>  <AMOUNT_CURRENT> (2,261)
32.7

$$$$
WAY-631013
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.2083   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -0.2417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -1.7875    0.0000 C   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
    4.0542    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    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  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 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  1  0  0  0  0
 16  4  1  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 18  2  0  0  0  0
 21 22  1  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
  2  5  1  0  0  0  0
 21 17  2  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,262)
2262

>  <Formula> (2,262)
C18H17FN2OS

>  <MolWeight> (2,262)
328.4037832

>  <PCAT_CMPD_ID> (2,262)
WAY-631013

>  <CNC_ID> (2,262)
359363532

>  <transfer_container_id> (2,262)
PTN000000069

>  <COMPOUND_NUMBER> (2,262)
WAY-631013

>  <BAR_CODE_NO> (2,262)
90465364

>  <LOCATION_CODE> (2,262)
PTNCS

>  <AMOUNT_CURRENT> (2,262)
33

$$$$
WAY-631024
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.4083   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    2.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -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  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 17  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 20  1  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 11  1  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 13  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  4  3  1  0  0  0  0
 24 15  2  0  0  0  0
 12 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,263)
2263

>  <Formula> (2,263)
C18H24N4O3

>  <MolWeight> (2,263)
344.40816

>  <PCAT_CMPD_ID> (2,263)
WAY-631024

>  <CNC_ID> (2,263)
359363544

>  <transfer_container_id> (2,263)
PTN000000069

>  <COMPOUND_NUMBER> (2,263)
WAY-631024

>  <BAR_CODE_NO> (2,263)
90465375

>  <LOCATION_CODE> (2,263)
PTNCS

>  <AMOUNT_CURRENT> (2,263)
33

$$$$
WAY-631055
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2750   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    0.3583    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
   -0.0375    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    0.0583    0.0000 C   0  0  0  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  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  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 19  2  0  0  0  0
 22 18  2  0  0  0  0
  6  5  2  0  0  0  0
 21 22  1  0  0  0  0
  8 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,264)
2264

>  <Formula> (2,264)
C17H13NO3S

>  <MolWeight> (2,264)
311.35502

>  <PCAT_CMPD_ID> (2,264)
WAY-631055

>  <CNC_ID> (2,264)
359363575

>  <transfer_container_id> (2,264)
PTN000000069

>  <COMPOUND_NUMBER> (2,264)
WAY-631055

>  <BAR_CODE_NO> (2,264)
90465406

>  <LOCATION_CODE> (2,264)
PTNCS

>  <AMOUNT_CURRENT> (2,264)
32.9

$$$$
WAY-631071
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9708    0.3333    0.0000 S   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
   -0.4833    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    1.7833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    2.3958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4375   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    3.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.5750    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  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  7  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  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 19  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
  5  4  1  0  0  0  0
 12 18  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,265)
2265

>  <Formula> (2,265)
C14H15N3O2S2

>  <MolWeight> (2,265)
321.4178

>  <PCAT_CMPD_ID> (2,265)
WAY-631071

>  <CNC_ID> (2,265)
359363591

>  <transfer_container_id> (2,265)
PTN000000069

>  <COMPOUND_NUMBER> (2,265)
WAY-631071

>  <BAR_CODE_NO> (2,265)
90465422

>  <LOCATION_CODE> (2,265)
PTNCS

>  <AMOUNT_CURRENT> (2,265)
32.5

$$$$
WAY-631090
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.1625   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.8375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0958   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -1.9125    0.0000 C   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
    0.4542   -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  1  1  0  0  0  0
  5  4  1  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  3  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 10  2  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 10  1  0  0  0  0
  5  3  2  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,266)
2266

>  <Formula> (2,266)
C13H15NO5

>  <MolWeight> (2,266)
265.2619

>  <PCAT_CMPD_ID> (2,266)
WAY-631090

>  <CNC_ID> (2,266)
359363610

>  <transfer_container_id> (2,266)
PTN000000069

>  <COMPOUND_NUMBER> (2,266)
WAY-631090

>  <BAR_CODE_NO> (2,266)
90465441

>  <LOCATION_CODE> (2,266)
PTNCS

>  <AMOUNT_CURRENT> (2,266)
32.6

$$$$
WAY-631096
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.2292    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    4.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -5.1292    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  4  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  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  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  8  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  4  1  0  0  0  0
 24 18  1  0  0  0  0
 10 15  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,267)
2267

>  <Formula> (2,267)
C18H20N2O3S

>  <MolWeight> (2,267)
344.428

>  <PCAT_CMPD_ID> (2,267)
WAY-631096

>  <CNC_ID> (2,267)
359363616

>  <transfer_container_id> (2,267)
PTN000000069

>  <COMPOUND_NUMBER> (2,267)
WAY-631096

>  <BAR_CODE_NO> (2,267)
90465447

>  <LOCATION_CODE> (2,267)
PTNCS

>  <AMOUNT_CURRENT> (2,267)
32.1

$$$$
WAY-631114
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.5250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    0.6708    0.0000 O   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
   -5.1750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.8250    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
   -1.0500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.8250    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
    3.9542    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -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  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 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  2  0  0  0  0
 10  7  1  0  0  0  0
 11 21  1  0  0  0  0
 12  8  1  0  0  0  0
 13  1  2  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  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19  7  2  0  0  0  0
 20 18  1  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  6  1  0  0  0  0
 25 18  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  3  4  2  0  0  0  0
 28 24  2  0  0  0  0
 11  8  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,268)
2268

>  <Formula> (2,268)
C20H20N4O4

>  <MolWeight> (2,268)
380.3972

>  <PCAT_CMPD_ID> (2,268)
WAY-631114

>  <CNC_ID> (2,268)
359363634

>  <transfer_container_id> (2,268)
PTN000000069

>  <COMPOUND_NUMBER> (2,268)
WAY-631114

>  <BAR_CODE_NO> (2,268)
90465465

>  <LOCATION_CODE> (2,268)
PTNCS

>  <AMOUNT_CURRENT> (2,268)
32.8

$$$$
WAY-631124
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2958    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.9667    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
    0.3042   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    3.9458    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 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 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  2  0  0  0  0
  4  3  2  0  0  0  0
 21 17  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,269)
2269

>  <Formula> (2,269)
C15H18N4O2

>  <MolWeight> (2,269)
286.32902

>  <PCAT_CMPD_ID> (2,269)
WAY-631124

>  <CNC_ID> (2,269)
359363644

>  <transfer_container_id> (2,269)
PTN000000069

>  <COMPOUND_NUMBER> (2,269)
WAY-631124

>  <BAR_CODE_NO> (2,269)
90465475

>  <LOCATION_CODE> (2,269)
PTNCS

>  <AMOUNT_CURRENT> (2,269)
32.2

$$$$
WAY-631131
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.9708   -1.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    2.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -1.8292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  8  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  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  1  1  0  0  0  0
 10 14  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 11  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  4  1  0  0  0  0
 23  6  1  0  0  0  0
 24  8  1  0  0  0  0
 18 20  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,270)
2270

>  <Formula> (2,270)
C15H17ClN2O5S

>  <MolWeight> (2,270)
372.82388

>  <PCAT_CMPD_ID> (2,270)
WAY-631131

>  <CNC_ID> (2,270)
359363651

>  <transfer_container_id> (2,270)
PTN000000069

>  <COMPOUND_NUMBER> (2,270)
WAY-631131

>  <BAR_CODE_NO> (2,270)
90465482

>  <LOCATION_CODE> (2,270)
PTNCS

>  <AMOUNT_CURRENT> (2,270)
32.9

$$$$
WAY-631135
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.1458    1.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    2.7500    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 11  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  4  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  1  1  0  0  0  0
 13  6  2  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 16  1  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
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  2  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
 13  5  1  0  0  0  0
  9 10  2  0  0  0  0
 27 22  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,271)
2271

>  <Formula> (2,271)
C18H15N5O3S

>  <MolWeight> (2,271)
381.4084

>  <PCAT_CMPD_ID> (2,271)
WAY-631135

>  <CNC_ID> (2,271)
359363655

>  <transfer_container_id> (2,271)
PTN000000069

>  <COMPOUND_NUMBER> (2,271)
WAY-631135

>  <BAR_CODE_NO> (2,271)
90465486

>  <LOCATION_CODE> (2,271)
PTNCS

>  <AMOUNT_CURRENT> (2,271)
32.8

$$$$
WAY-631159
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6333    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.2958    0.0000 O   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
   -0.0500    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -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  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  9  1  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 13  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  1  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
 17 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,272)
2272

>  <Formula> (2,272)
C15H20N4O2

>  <MolWeight> (2,272)
288.3449

>  <PCAT_CMPD_ID> (2,272)
WAY-631159

>  <CNC_ID> (2,272)
359363679

>  <transfer_container_id> (2,272)
PTN000000069

>  <COMPOUND_NUMBER> (2,272)
WAY-631159

>  <BAR_CODE_NO> (2,272)
90465511

>  <LOCATION_CODE> (2,272)
PTNCS

>  <AMOUNT_CURRENT> (2,272)
32.7

$$$$
WAY-631167
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.4583   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.4917    0.0000 N   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
   -0.1208   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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 14  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  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  1  0  0  0  0
 15  8  2  0  0  0  0
 16 11  2  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 12  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
  3  5  2  0  0  0  0
 25 24  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,273)
2273

>  <Formula> (2,273)
C19H23N3O3

>  <MolWeight> (2,273)
341.40422

>  <PCAT_CMPD_ID> (2,273)
WAY-631167

>  <CNC_ID> (2,273)
359363687

>  <transfer_container_id> (2,273)
PTN000000069

>  <COMPOUND_NUMBER> (2,273)
WAY-631167

>  <BAR_CODE_NO> (2,273)
90465520

>  <LOCATION_CODE> (2,273)
PTNCS

>  <AMOUNT_CURRENT> (2,273)
32.5

$$$$
WAY-631171
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.6833    2.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    2.1833    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
   -1.1083   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -2.3625    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
    1.8167   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -2.3625    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  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6 16  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  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  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  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 13  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
  4  5  1  0  0  0  0
 14 15  1  0  0  0  0
  8 11  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,274)
2274

>  <Formula> (2,274)
C16H15N3O3S

>  <MolWeight> (2,274)
329.3736

>  <PCAT_CMPD_ID> (2,274)
WAY-631171

>  <CNC_ID> (2,274)
359363691

>  <transfer_container_id> (2,274)
PTN000000069

>  <COMPOUND_NUMBER> (2,274)
WAY-631171

>  <BAR_CODE_NO> (2,274)
90465524

>  <LOCATION_CODE> (2,274)
PTNCS

>  <AMOUNT_CURRENT> (2,274)
32.5

$$$$
WAY-631175
csChFnd80/11182011152D

 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
   -1.7833   -0.0167    0.0000 C   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
    0.3625   -0.4292    0.0000 O   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
   -1.7833    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.2667    0.0000 O   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
   -2.5625    1.0625    0.0000 O   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
    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
    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  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  9  2  0  0  0  0
  7 16  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  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  1  2  0  0  0  0
 14  4  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
 14 15  2  0  0  0  0
  7  3  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,275)
2275

>  <Formula> (2,275)
C12H8O4S

>  <MolWeight> (2,275)
248.25452

>  <PCAT_CMPD_ID> (2,275)
WAY-631175

>  <CNC_ID> (2,275)
359363695

>  <transfer_container_id> (2,275)
PTN000000069

>  <COMPOUND_NUMBER> (2,275)
WAY-631175

>  <BAR_CODE_NO> (2,275)
90465528

>  <LOCATION_CODE> (2,275)
PTNCS

>  <AMOUNT_CURRENT> (2,275)
32.3

$$$$
WAY-631177
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3750   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    3.6958    0.0000 S   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
    0.4292   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -2.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -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 10  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6 13  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  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  2  0  0  0  0
 15 16  2  0  0  0  0
 16  5  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  3 11  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,276)
2276

>  <Formula> (2,276)
C13H18N2O3S

>  <MolWeight> (2,276)
282.35862

>  <PCAT_CMPD_ID> (2,276)
WAY-631177

>  <CNC_ID> (2,276)
359363697

>  <transfer_container_id> (2,276)
PTN000000069

>  <COMPOUND_NUMBER> (2,276)
WAY-631177

>  <BAR_CODE_NO> (2,276)
90465530

>  <LOCATION_CODE> (2,276)
PTNCS

>  <AMOUNT_CURRENT> (2,276)
32.5

$$$$
WAY-631220
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.7125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    1.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.9792    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  3  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  1  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  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 15  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 24  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  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 19  1  0  0  0  0
 26 25  1  0  0  0  0
  6  5  1  0  0  0  0
 12 13  2  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,277)
2277

>  <Formula> (2,277)
C18H22N2O5S

>  <MolWeight> (2,277)
378.44268

>  <PCAT_CMPD_ID> (2,277)
WAY-631220

>  <CNC_ID> (2,277)
359363740

>  <transfer_container_id> (2,277)
PTN000000069

>  <COMPOUND_NUMBER> (2,277)
WAY-631220

>  <BAR_CODE_NO> (2,277)
90465573

>  <LOCATION_CODE> (2,277)
PTNCS

>  <AMOUNT_CURRENT> (2,277)
32.6

$$$$
WAY-631305
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1375    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2917   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    3.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    2.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -2.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -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  9  1  0  0  0  0
  4  5  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  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  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 10  1  0  0  0  0
 18 21  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 18  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  3  4  2  0  0  0  0
 26 24  2  0  0  0  0
 18 20  2  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,278)
2278

>  <Formula> (2,278)
C20H14ClNO4

>  <MolWeight> (2,278)
367.78246

>  <PCAT_CMPD_ID> (2,278)
WAY-631305

>  <CNC_ID> (2,278)
359363825

>  <transfer_container_id> (2,278)
PTN000000069

>  <COMPOUND_NUMBER> (2,278)
WAY-631305

>  <BAR_CODE_NO> (2,278)
90465661

>  <LOCATION_CODE> (2,278)
PTNCS

>  <AMOUNT_CURRENT> (2,278)
32.4

$$$$
WAY-631318
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.5458   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -3.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.9792    0.0000 O   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
   -1.9750   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3 11  2  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  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  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 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 11  1  0  0  0  0
 23 17  2  0  0  0  0
 24 17  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 23  1  0  0  0  0
 29 27  1  0  0  0  0
  3  8  1  0  0  0  0
 26 21  2  0  0  0  0
  4 15  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,279)
2279

>  <Formula> (2,279)
C23H23N3O3

>  <MolWeight> (2,279)
389.44702

>  <PCAT_CMPD_ID> (2,279)
WAY-631318

>  <CNC_ID> (2,279)
359363838

>  <transfer_container_id> (2,279)
PTN000000069

>  <COMPOUND_NUMBER> (2,279)
WAY-631318

>  <BAR_CODE_NO> (2,279)
90465676

>  <LOCATION_CODE> (2,279)
PTNCS

>  <AMOUNT_CURRENT> (2,279)
32.2

$$$$
WAY-631320
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.1167   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    3.2833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -2.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.9583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0333    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    3.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    4.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -1.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.7292    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
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  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  1  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  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  7  2  0  0  0  0
 20 11  2  0  0  0  0
 21 10  1  0  0  0  0
 22  8  1  0  0  0  0
 23 18  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
 27 23  2  0  0  0  0
 28 26  2  0  0  0  0
  3  6  1  0  0  0  0
 28 27  1  0  0  0  0
  2 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,280)
2280

>  <Formula> (2,280)
C19H22N2O6S

>  <MolWeight> (2,280)
406.45278

>  <PCAT_CMPD_ID> (2,280)
WAY-631320

>  <CNC_ID> (2,280)
359363840

>  <transfer_container_id> (2,280)
PTN000000069

>  <COMPOUND_NUMBER> (2,280)
WAY-631320

>  <BAR_CODE_NO> (2,280)
90465678

>  <LOCATION_CODE> (2,280)
PTNCS

>  <AMOUNT_CURRENT> (2,280)
32.7

$$$$
WAY-631361
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2375    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.2833    0.0000 C   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
    2.6667    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917    2.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.4583    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
   -0.1958   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    0.0458    0.0000 C   0  0  0  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  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  3  0  0  0  0
 11  9  3  0  0  0  0
 12 15  3  0  0  0  0
 13 27  1  0  0  0  0
 14 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 26  1  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 23  2  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23 25  1  0  0  0  0
 24  5  1  0  0  0  0
 25 13  1  0  0  0  0
 26 30  2  0  0  0  0
 27 22  1  0  0  0  0
 28 21  1  0  0  0  0
 29  6  1  0  0  0  0
 30 23  1  0  0  0  0
  4  5  2  0  0  0  0
 13 28  1  0  0  0  0
 16 14  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,281)
2281

>  <Formula> (2,281)
C21H19N7O2

>  <MolWeight> (2,281)
401.42126

>  <PCAT_CMPD_ID> (2,281)
WAY-631361

>  <CNC_ID> (2,281)
359363881

>  <transfer_container_id> (2,281)
PTN000000069

>  <COMPOUND_NUMBER> (2,281)
WAY-631361

>  <BAR_CODE_NO> (2,281)
90465720

>  <LOCATION_CODE> (2,281)
PTNCS

>  <AMOUNT_CURRENT> (2,281)
32.6

$$$$
WAY-631458
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.3125   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -1.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    0.9458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6375    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333    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  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  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12 21  1  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 17  1  0  0  0  0
 17 19  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 22  1  0  0  0  0
 22 16  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 21  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  6  7  2  0  0  0  0
 18 15  1  0  0  0  0
 17 20  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,282)
2282

>  <Formula> (2,282)
C21H22N2O4S

>  <MolWeight> (2,282)
398.47538

>  <PCAT_CMPD_ID> (2,282)
WAY-631458

>  <CNC_ID> (2,282)
359363978

>  <transfer_container_id> (2,282)
PTN000000069

>  <COMPOUND_NUMBER> (2,282)
WAY-631458

>  <BAR_CODE_NO> (2,282)
90465820

>  <LOCATION_CODE> (2,282)
PTNCS

>  <AMOUNT_CURRENT> (2,282)
32.1

$$$$
WAY-631521
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8083    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    2.1083    0.0000 O   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
    3.1917   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -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 12  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  4  1  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 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14  5  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  2  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20  6  1  0  0  0  0
 21 10  1  0  0  0  0
 22 19  2  0  0  0  0
 23 14  2  0  0  0  0
 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
  5  8  2  0  0  0  0
 23 22  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,283)
2283

>  <Formula> (2,283)
C19H21N3O3

>  <MolWeight> (2,283)
339.38834

>  <PCAT_CMPD_ID> (2,283)
WAY-631521

>  <CNC_ID> (2,283)
359364041

>  <transfer_container_id> (2,283)
PTN000000069

>  <COMPOUND_NUMBER> (2,283)
WAY-631521

>  <BAR_CODE_NO> (2,283)
90465886

>  <LOCATION_CODE> (2,283)
PTNCS

>  <AMOUNT_CURRENT> (2,283)
32.6

$$$$
WAY-631537
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7875    0.8958    0.0000 C   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
   -0.5500   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2417   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.5583    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
    0.1000    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.3167    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  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  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  3  2  0  0  0  0
 15  7  2  0  0  0  0
 16  4  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  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
 18  8  1  0  0  0  0
 10 17  1  0  0  0  0
 19  8  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,284)
2284

>  <Formula> (2,284)
C21H28N2O2

>  <MolWeight> (2,284)
340.45922

>  <PCAT_CMPD_ID> (2,284)
WAY-631537

>  <CNC_ID> (2,284)
359364057

>  <transfer_container_id> (2,284)
PTN000000069

>  <COMPOUND_NUMBER> (2,284)
WAY-631537

>  <BAR_CODE_NO> (2,284)
90465902

>  <LOCATION_CODE> (2,284)
PTNCS

>  <AMOUNT_CURRENT> (2,284)
32.8

$$$$
WAY-631581
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.9417   -2.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -3.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    3.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.1333    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  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10 15  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  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  3  1  0  0  0  0
 17 16  2  0  0  0  0
 18  5  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 17  1  0  0  0  0
 22 14  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,285)
2285

>  <Formula> (2,285)
C14H17NO6S

>  <MolWeight> (2,285)
327.35288

>  <PCAT_CMPD_ID> (2,285)
WAY-631581

>  <CNC_ID> (2,285)
359364101

>  <transfer_container_id> (2,285)
PTN000000069

>  <COMPOUND_NUMBER> (2,285)
WAY-631581

>  <BAR_CODE_NO> (2,285)
90465947

>  <LOCATION_CODE> (2,285)
PTNCS

>  <AMOUNT_CURRENT> (2,285)
32.8

$$$$
WAY-631592
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.6100    1.2600    0.0000 S   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
    0.6500   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6100   -0.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    0.4500    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
   -1.0800   -0.0500    0.0000 C   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
   -0.2200    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445    1.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8120    0.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9415    2.4526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8060    2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8030    3.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9355    4.4526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6675    4.4578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6685    5.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5310    5.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3975    5.4578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    4.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5340    3.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2645    5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1345    5.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9945    5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9945    6.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1345    7.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2645    6.9560    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  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  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
  8 10  1  0  0  0  0
 10 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
 16 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 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  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 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,286)
2286

>  <Formula> (2,286)
C20H19N3O3S

>  <MolWeight> (2,286)
381.44816

>  <PCAT_CMPD_ID> (2,286)
WAY-631592

>  <CNC_ID> (2,286)
359364112

>  <transfer_container_id> (2,286)
PTN000000069

>  <COMPOUND_NUMBER> (2,286)
WAY-631592

>  <BAR_CODE_NO> (2,286)
90465958

>  <LOCATION_CODE> (2,286)
PTNCS

>  <AMOUNT_CURRENT> (2,286)
32.7

$$$$
WAY-631665
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6958   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.3250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1167   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    1.1458    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
    2.7917    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.7083    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  1  2  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  1  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 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16  3  2  0  0  0  0
 17  6  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  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 15  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
  6  8  1  0  0  0  0
 13 14  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,287)
2287

>  <Formula> (2,287)
C19H21N3O3

>  <MolWeight> (2,287)
339.38834

>  <PCAT_CMPD_ID> (2,287)
WAY-631665

>  <CNC_ID> (2,287)
359364185

>  <transfer_container_id> (2,287)
PTN000000069

>  <COMPOUND_NUMBER> (2,287)
WAY-631665

>  <BAR_CODE_NO> (2,287)
90466035

>  <LOCATION_CODE> (2,287)
PTNCS

>  <AMOUNT_CURRENT> (2,287)
32.7

$$$$
WAY-631667
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2250   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0083   -1.6792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    2.5958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.7083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.7708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -3.5292    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  1  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  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13  5  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 16  2  0  0  0  0
 18  9  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 13  2  0  0  0  0
 23 22  1  0  0  0  0
 24 11  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 16  1  0  0  0  0
 28 23  1  0  0  0  0
  6  4  1  0  0  0  0
 23 15  2  0  0  0  0
 11 10  1  0  0  0  0
 25 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,288)
2288

>  <Formula> (2,288)
C21H22F3N3O

>  <MolWeight> (2,288)
389.4140896

>  <PCAT_CMPD_ID> (2,288)
WAY-631667

>  <CNC_ID> (2,288)
359364187

>  <transfer_container_id> (2,288)
PTN000000069

>  <COMPOUND_NUMBER> (2,288)
WAY-631667

>  <BAR_CODE_NO> (2,288)
90466037

>  <LOCATION_CODE> (2,288)
PTNCS

>  <AMOUNT_CURRENT> (2,288)
32.8

$$$$
WAY-631675
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.4125   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.2292    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
   -1.1375    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.8375    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  6  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 11  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  7  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  1  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  5  1  0  0  0  0
 19 13  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
  3  4  1  0  0  0  0
 22 19  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,289)
2289

>  <Formula> (2,289)
C15H14N4O2S

>  <MolWeight> (2,289)
314.36226

>  <PCAT_CMPD_ID> (2,289)
WAY-631675

>  <CNC_ID> (2,289)
359364195

>  <transfer_container_id> (2,289)
PTN000000069

>  <COMPOUND_NUMBER> (2,289)
WAY-631675

>  <BAR_CODE_NO> (2,289)
90466048

>  <LOCATION_CODE> (2,289)
PTNCS

>  <AMOUNT_CURRENT> (2,289)
32.6

$$$$
WAY-631687
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.8167   -1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    2.0833    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
    2.5292    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.0833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -3.2792    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 11  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  7  1  0  0  0  0
  9  6  2  0  0  0  0
 10 15  1  0  0  0  0
 11 21  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 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 12  1  0  0  0  0
 18  3  2  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 23  2  0  0  0  0
 22 20  2  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
 25  5  1  0  0  0  0
 26  8  1  0  0  0  0
 27 19  2  0  0  0  0
 28 19  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
 16  2  2  0  0  0  0
 31 30  2  0  0  0  0
 11 10  2  0  0  0  0
  8  4  2  0  0  0  0
M  END
>  <Mol_ID> (2,290)
2290

>  <Formula> (2,290)
C22H18ClN3O3S2

>  <MolWeight> (2,290)
471.97962

>  <PCAT_CMPD_ID> (2,290)
WAY-631687

>  <CNC_ID> (2,290)
359364207

>  <transfer_container_id> (2,290)
PTN000000069

>  <COMPOUND_NUMBER> (2,290)
WAY-631687

>  <BAR_CODE_NO> (2,290)
90466061

>  <LOCATION_CODE> (2,290)
PTNCS

>  <AMOUNT_CURRENT> (2,290)
32.7

$$$$
WAY-631715
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.9208   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1875   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    0.0458    0.0000 C   0  0  0  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 16  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  6  2  0  0  0  0
 13  6  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 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
 11 10  2  0  0  0  0
  5  4  2  0  0  0  0
 16 17  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,291)
2291

>  <Formula> (2,291)
C17H17N3OS

>  <MolWeight> (2,291)
311.40138

>  <PCAT_CMPD_ID> (2,291)
WAY-631715

>  <CNC_ID> (2,291)
359364235

>  <transfer_container_id> (2,291)
PTN000000069

>  <COMPOUND_NUMBER> (2,291)
WAY-631715

>  <BAR_CODE_NO> (2,291)
90466089

>  <LOCATION_CODE> (2,291)
PTNCS

>  <AMOUNT_CURRENT> (2,291)
32.9

$$$$
WAY-631725
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -2.5250   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125   -0.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    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  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  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  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  3  1  0  0  0  0
 14  8  1  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 20  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 14 13  2  0  0  0  0
  5  4  2  0  0  0  0
 18 19  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,292)
2292

>  <Formula> (2,292)
C15H13N3OS

>  <MolWeight> (2,292)
283.34822

>  <PCAT_CMPD_ID> (2,292)
WAY-631725

>  <CNC_ID> (2,292)
359364245

>  <transfer_container_id> (2,292)
PTN000000069

>  <COMPOUND_NUMBER> (2,292)
WAY-631725

>  <BAR_CODE_NO> (2,292)
90466099

>  <LOCATION_CODE> (2,292)
PTNCS

>  <AMOUNT_CURRENT> (2,292)
32.7

$$$$
WAY-631750
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.7917    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -3.0792    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
   -2.5083    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    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  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  1  0  0  0  0
  9  3  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 11  1  0  0  0  0
 14 12  1  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 14  1  0  0  0  0
 19 17  1  0  0  0  0
  7  6  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,293)
2293

>  <Formula> (2,293)
C13H19N3O3

>  <MolWeight> (2,293)
265.30826

>  <PCAT_CMPD_ID> (2,293)
WAY-631750

>  <CNC_ID> (2,293)
359364270

>  <transfer_container_id> (2,293)
PTN000000069

>  <COMPOUND_NUMBER> (2,293)
WAY-631750

>  <BAR_CODE_NO> (2,293)
90466125

>  <LOCATION_CODE> (2,293)
PTNCS

>  <AMOUNT_CURRENT> (2,293)
32.9

$$$$
WAY-631772
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.9417   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    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  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 10  1  0  0  0  0
 10  6  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  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
  3  5  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,294)
2294

>  <Formula> (2,294)
C12H17N5O

>  <MolWeight> (2,294)
247.29628

>  <PCAT_CMPD_ID> (2,294)
WAY-631772

>  <CNC_ID> (2,294)
359364292

>  <transfer_container_id> (2,294)
PTN000000069

>  <COMPOUND_NUMBER> (2,294)
WAY-631772

>  <BAR_CODE_NO> (2,294)
90466147

>  <LOCATION_CODE> (2,294)
PTNCS

>  <AMOUNT_CURRENT> (2,294)
32.6

$$$$
WAY-631788
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.3583   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.7333    0.0000 N   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
   -3.0708   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.3208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6500    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    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  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 20  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  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 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 22  1  0  0  0  0
 18  5  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21  6  1  0  0  0  0
 22 16  1  0  0  0  0
 23 11  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
  3  4  2  0  0  0  0
 25 21  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,295)
2295

>  <Formula> (2,295)
C18H21N3O4

>  <MolWeight> (2,295)
343.37704

>  <PCAT_CMPD_ID> (2,295)
WAY-631788

>  <CNC_ID> (2,295)
359364308

>  <transfer_container_id> (2,295)
PTN000000069

>  <COMPOUND_NUMBER> (2,295)
WAY-631788

>  <BAR_CODE_NO> (2,295)
90466164

>  <LOCATION_CODE> (2,295)
PTNCS

>  <AMOUNT_CURRENT> (2,295)
33

$$$$
WAY-631805
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -3.8583   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3542    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458   -1.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1333   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    0.9583    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  8  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 16  1  0  0  0  0
 11 21  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  9  1  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 13  1  0  0  0  0
 20 13  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 12  1  0  0  0  0
 25 17  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
 15 14  2  0  0  0  0
  5  4  2  0  0  0  0
 22 21  1  0  0  0  0
 17 12  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,296)
2296

>  <Formula> (2,296)
C20H15N3O3S

>  <MolWeight> (2,296)
377.4164

>  <PCAT_CMPD_ID> (2,296)
WAY-631805

>  <CNC_ID> (2,296)
359364325

>  <transfer_container_id> (2,296)
PTN000000069

>  <COMPOUND_NUMBER> (2,296)
WAY-631805

>  <BAR_CODE_NO> (2,296)
90466181

>  <LOCATION_CODE> (2,296)
PTNCS

>  <AMOUNT_CURRENT> (2,296)
32.3

$$$$
WAY-631898
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6250    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    2.1208    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  6  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 14  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 17  1  0  0  0  0
 15  4  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18  8  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 11  2  0  0  0  0
 22  3  1  0  0  0  0
 23  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25 12  1  0  0  0  0
 26 22  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
 12  5  1  0  0  0  0
 29 25  2  0  0  0  0
 28 24  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,297)
2297

>  <Formula> (2,297)
C22H16N2O5

>  <MolWeight> (2,297)
388.37284

>  <PCAT_CMPD_ID> (2,297)
WAY-631898

>  <CNC_ID> (2,297)
359364418

>  <transfer_container_id> (2,297)
PTN000000069

>  <COMPOUND_NUMBER> (2,297)
WAY-631898

>  <BAR_CODE_NO> (2,297)
90466281

>  <LOCATION_CODE> (2,297)
PTNCS

>  <AMOUNT_CURRENT> (2,297)
32.2

$$$$
WAY-631921
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.2708    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    2.4458    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
    2.2042   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -3.3125    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  4  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  2  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  3  1  0  0  0  0
 14  8  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 11  2  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 15  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  2  0  0  0  0
  8 12  1  0  0  0  0
 20 14  2  0  0  0  0
 26 22  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,298)
2298

>  <Formula> (2,298)
C23H22N2O

>  <MolWeight> (2,298)
342.43358

>  <PCAT_CMPD_ID> (2,298)
WAY-631921

>  <CNC_ID> (2,298)
359364441

>  <transfer_container_id> (2,298)
PTN000000069

>  <COMPOUND_NUMBER> (2,298)
WAY-631921

>  <BAR_CODE_NO> (2,298)
90466305

>  <LOCATION_CODE> (2,298)
PTNCS

>  <AMOUNT_CURRENT> (2,298)
32.6

$$$$
WAY-631929
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.1792   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3958   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    0.6333    0.0000 C   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  3  1  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 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  2  0  0  0  0
  5  2  1  0  0  0  0
 14 11  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,299)
2299

>  <Formula> (2,299)
C15H15NO5

>  <MolWeight> (2,299)
289.2833

>  <PCAT_CMPD_ID> (2,299)
WAY-631929

>  <CNC_ID> (2,299)
359364449

>  <transfer_container_id> (2,299)
PTN000000069

>  <COMPOUND_NUMBER> (2,299)
WAY-631929

>  <BAR_CODE_NO> (2,299)
90466313

>  <LOCATION_CODE> (2,299)
PTNCS

>  <AMOUNT_CURRENT> (2,299)
32

$$$$
WAY-631951
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.3500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    3.4833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    4.1417    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
    1.4125   -1.6625    0.0000 C   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
   -1.8583   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.4417    0.0000 C   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
   -2.4333   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -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  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  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  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  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 12  2  0  0  0  0
 19 12  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
  4  5  1  0  0  0  0
 15 13  2  0  0  0  0
 25 21  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,300)
2300

>  <Formula> (2,300)
C18H13N5OS

>  <MolWeight> (2,300)
347.39372

>  <PCAT_CMPD_ID> (2,300)
WAY-631951

>  <CNC_ID> (2,300)
359364471

>  <transfer_container_id> (2,300)
PTN000000069

>  <COMPOUND_NUMBER> (2,300)
WAY-631951

>  <BAR_CODE_NO> (2,300)
90466335

>  <LOCATION_CODE> (2,300)
PTNCS

>  <AMOUNT_CURRENT> (2,300)
32.1

$$$$
WAY-631971
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0458    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.9625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8583    2.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    3.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -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  1  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  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12  2  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  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18  5  1  0  0  0  0
 19 12  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  2  0  0  0  0
 24 22  2  0  0  0  0
 15 21  1  0  0  0  0
  4 11  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,301)
2301

>  <Formula> (2,301)
C20H24N2O2

>  <MolWeight> (2,301)
324.41676

>  <PCAT_CMPD_ID> (2,301)
WAY-631971

>  <CNC_ID> (2,301)
359364491

>  <transfer_container_id> (2,301)
PTN000000069

>  <COMPOUND_NUMBER> (2,301)
WAY-631971

>  <BAR_CODE_NO> (2,301)
90466355

>  <LOCATION_CODE> (2,301)
PTNCS

>  <AMOUNT_CURRENT> (2,301)
32.8

$$$$
WAY-631986
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.5167    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    4.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -4.8542    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 15  1  0  0  0  0
  5 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7 20  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  2  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 19  1  0  0  0  0
 16  4  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  8  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  6  2  0  0  0  0
 14 17  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,302)
2302

>  <Formula> (2,302)
C19H21N3O3

>  <MolWeight> (2,302)
339.38834

>  <PCAT_CMPD_ID> (2,302)
WAY-631986

>  <CNC_ID> (2,302)
359364506

>  <transfer_container_id> (2,302)
PTN000000069

>  <COMPOUND_NUMBER> (2,302)
WAY-631986

>  <BAR_CODE_NO> (2,302)
90466371

>  <LOCATION_CODE> (2,302)
PTNCS

>  <AMOUNT_CURRENT> (2,302)
32.7

$$$$
WAY-632065
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.6375    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375    3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -4.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -4.6917    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  1  1  0  0  0  0
  5  1  2  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  4  1  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  1  1  0  0  0  0
 14 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  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 20  1  0  0  0  0
 23 21  1  0  0  0  0
 11  2  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,303)
2303

>  <Formula> (2,303)
C17H25N3O3

>  <MolWeight> (2,303)
319.3987

>  <PCAT_CMPD_ID> (2,303)
WAY-632065

>  <CNC_ID> (2,303)
359364585

>  <transfer_container_id> (2,303)
PTN000000069

>  <COMPOUND_NUMBER> (2,303)
WAY-632065

>  <BAR_CODE_NO> (2,303)
90466453

>  <LOCATION_CODE> (2,303)
PTNCS

>  <AMOUNT_CURRENT> (2,303)
32.3

$$$$
WAY-632091
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.5958    2.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -2.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    3.3083    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  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  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11 18  1  0  0  0  0
 12  6  2  0  0  0  0
 13  4  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 20  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  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  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 12  1  0  0  0  0
 25 21  2  0  0  0  0
 26 23  2  0  0  0  0
 27 22  2  0  0  0  0
 28 25  1  0  0  0  0
 12 17  1  0  0  0  0
 28 24  2  0  0  0  0
  9  8  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,304)
2304

>  <Formula> (2,304)
C21H19N3O4

>  <MolWeight> (2,304)
377.39326

>  <PCAT_CMPD_ID> (2,304)
WAY-632091

>  <CNC_ID> (2,304)
359364611

>  <transfer_container_id> (2,304)
PTN000000069

>  <COMPOUND_NUMBER> (2,304)
WAY-632091

>  <BAR_CODE_NO> (2,304)
90466480

>  <LOCATION_CODE> (2,304)
PTNCS

>  <AMOUNT_CURRENT> (2,304)
32.9

$$$$
WAY-632093
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.5125    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    3.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    4.8542    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  7  3  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 27  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16 24  2  0  0  0  0
 17  9  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  2  0  0  0  0
 20 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 19  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  2  0  0  0  0
 27 15  1  0  0  0  0
 28 14  1  0  0  0  0
 20 19  1  0  0  0  0
 11 28  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,305)
2305

>  <Formula> (2,305)
C20H21N3O4S

>  <MolWeight> (2,305)
399.46344

>  <PCAT_CMPD_ID> (2,305)
WAY-632093

>  <CNC_ID> (2,305)
359364613

>  <transfer_container_id> (2,305)
PTN000000069

>  <COMPOUND_NUMBER> (2,305)
WAY-632093

>  <BAR_CODE_NO> (2,305)
90466482

>  <LOCATION_CODE> (2,305)
PTNCS

>  <AMOUNT_CURRENT> (2,305)
32.6

$$$$
WAY-632094
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2417   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.8625    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
    0.6917    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.1958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5458   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -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  4  1  0  0  0  0
  4  5  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  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  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 11 19  1  0  0  0  0
 23 21  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,306)
2306

>  <Formula> (2,306)
C16H13NO6

>  <MolWeight> (2,306)
315.27752

>  <PCAT_CMPD_ID> (2,306)
WAY-632094

>  <CNC_ID> (2,306)
359364614

>  <transfer_container_id> (2,306)
PTN000000069

>  <COMPOUND_NUMBER> (2,306)
WAY-632094

>  <BAR_CODE_NO> (2,306)
90466483

>  <LOCATION_CODE> (2,306)
PTNCS

>  <AMOUNT_CURRENT> (2,306)
32.6

$$$$
WAY-632096
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.3458   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -2.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -3.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -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
    1.2292    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    1.3583    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 17  1  0  0  0  0
  8 19  1  0  0  0  0
  9  1  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 16  1  0  0  0  0
 14 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  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  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22  6  1  0  0  0  0
 23 21  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
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
  3  5  2  0  0  0  0
 26 22  2  0  0  0  0
  7 18  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,307)
2307

>  <Formula> (2,307)
C23H26N4O2

>  <MolWeight> (2,307)
390.47814

>  <PCAT_CMPD_ID> (2,307)
WAY-632096

>  <CNC_ID> (2,307)
359364616

>  <transfer_container_id> (2,307)
PTN000000069

>  <COMPOUND_NUMBER> (2,307)
WAY-632096

>  <BAR_CODE_NO> (2,307)
90466485

>  <LOCATION_CODE> (2,307)
PTNCS

>  <AMOUNT_CURRENT> (2,307)
32.6

$$$$
WAY-632097
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.2875    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -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  4  2  0  0  0  0
  6 11  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 12  1  0  0  0  0
 12  4  1  0  0  0  0
 13  1  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 14  2  0  0  0  0
 18 15  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 16  2  0  0  0  0
 23 16  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
 18 19  2  0  0  0  0
 26 25  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,308)
2308

>  <Formula> (2,308)
C19H18N4O2S

>  <MolWeight> (2,308)
366.43682

>  <PCAT_CMPD_ID> (2,308)
WAY-632097

>  <CNC_ID> (2,308)
359364617

>  <transfer_container_id> (2,308)
PTN000000069

>  <COMPOUND_NUMBER> (2,308)
WAY-632097

>  <BAR_CODE_NO> (2,308)
90466486

>  <LOCATION_CODE> (2,308)
PTNCS

>  <AMOUNT_CURRENT> (2,308)
32.6

$$$$
WAY-632100
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.3833   -2.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.9500    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
   -0.6333   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -2.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  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 14  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  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 16  2  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17 26  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
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
 23 19  2  0  0  0  0
 24 10  1  0  0  0  0
 25 10  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 23  1  0  0  0  0
 29 18  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 22  2  0  0  0  0
 33 32  1  0  0  0  0
  6  3  2  0  0  0  0
 17 27  1  0  0  0  0
 28 18  2  0  0  0  0
 33 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,309)
2309

>  <Formula> (2,309)
C25H29N3O4S

>  <MolWeight> (2,309)
467.58046

>  <PCAT_CMPD_ID> (2,309)
WAY-632100

>  <CNC_ID> (2,309)
359364620

>  <transfer_container_id> (2,309)
PTN000000069

>  <COMPOUND_NUMBER> (2,309)
WAY-632100

>  <BAR_CODE_NO> (2,309)
90466489

>  <LOCATION_CODE> (2,309)
PTNCS

>  <AMOUNT_CURRENT> (2,309)
32.1

$$$$
WAY-632113
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.2917    1.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4875    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.4667    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
    0.9625    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    2.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -1.2000    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  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  1  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  3  2  0  0  0  0
 14  4  2  0  0  0  0
 15  7  1  0  0  0  0
 16 10  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 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  8  2  1  0  0  0  0
 17 18  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,310)
2310

>  <Formula> (2,310)
C18H20N2O4

>  <MolWeight> (2,310)
328.3624

>  <PCAT_CMPD_ID> (2,310)
WAY-632113

>  <CNC_ID> (2,310)
359364633

>  <transfer_container_id> (2,310)
PTN000000069

>  <COMPOUND_NUMBER> (2,310)
WAY-632113

>  <BAR_CODE_NO> (2,310)
90466502

>  <LOCATION_CODE> (2,310)
PTNCS

>  <AMOUNT_CURRENT> (2,310)
32.5

$$$$
WAY-632124
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.0239   -0.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0239    1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757   -1.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4205   -0.8278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860    1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4205    1.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5136   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2446    0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377    1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446   -1.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933   -0.3726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2381   -1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4933   -0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2381   -2.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7588   -1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4933    1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0312   -0.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7140    1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0312    1.0757    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
  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
  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> (2,311)
2311

>  <Formula> (2,311)
C14H12N2O3

>  <MolWeight> (2,311)
256.25668

>  <PCAT_CMPD_ID> (2,311)
WAY-632124

>  <CNC_ID> (2,311)
359364644

>  <transfer_container_id> (2,311)
PTN000000069

>  <COMPOUND_NUMBER> (2,311)
WAY-632124

>  <BAR_CODE_NO> (2,311)
90466513

>  <LOCATION_CODE> (2,311)
PTNCS

>  <AMOUNT_CURRENT> (2,311)
32.6

$$$$
WAY-632135
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.3542   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    1.2125    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
    0.2125    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8583    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    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 16  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  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 21  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  2  0  0  0  0
 16 14  1  0  0  0  0
 17 26  1  0  0  0  0
 18  7  1  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 23 14  1  0  0  0  0
 24  7  1  0  0  0  0
 25 10  1  0  0  0  0
 26 20  1  0  0  0  0
 27 19  1  0  0  0  0
 28 25  1  0  0  0  0
 29 13  1  0  0  0  0
 30 24  1  0  0  0  0
 17 27  1  0  0  0  0
 23 18  2  0  0  0  0
 13 10  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,312)
2312

>  <Formula> (2,312)
C22H26N2O5S

>  <MolWeight> (2,312)
430.51724

>  <PCAT_CMPD_ID> (2,312)
WAY-632135

>  <CNC_ID> (2,312)
359364655

>  <transfer_container_id> (2,312)
PTN000000069

>  <COMPOUND_NUMBER> (2,312)
WAY-632135

>  <BAR_CODE_NO> (2,312)
90466524

>  <LOCATION_CODE> (2,312)
PTNCS

>  <AMOUNT_CURRENT> (2,312)
32

$$$$
WAY-632137
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.4542    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.2333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -3.9875    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  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11 14  2  0  0  0  0
 12 10  1  0  0  0  0
 13 20  2  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 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
  3  2  1  0  0  0  0
 11 15  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,313)
2313

>  <Formula> (2,313)
C18H18ClNO2

>  <MolWeight> (2,313)
315.79402

>  <PCAT_CMPD_ID> (2,313)
WAY-632137

>  <CNC_ID> (2,313)
359364657

>  <transfer_container_id> (2,313)
PTN000000069

>  <COMPOUND_NUMBER> (2,313)
WAY-632137

>  <BAR_CODE_NO> (2,313)
90466526

>  <LOCATION_CODE> (2,313)
PTNCS

>  <AMOUNT_CURRENT> (2,313)
32.5

$$$$
WAY-632144
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.1667   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.6875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5958    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    3.2583    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  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  9  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  2  1  0  0  0  0
 15  5  1  0  0  0  0
 16 10  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
  5  3  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,314)
2314

>  <Formula> (2,314)
C15H19NO4

>  <MolWeight> (2,314)
277.31566

>  <PCAT_CMPD_ID> (2,314)
WAY-632144

>  <CNC_ID> (2,314)
359364664

>  <transfer_container_id> (2,314)
PTN000000069

>  <COMPOUND_NUMBER> (2,314)
WAY-632144

>  <BAR_CODE_NO> (2,314)
90466533

>  <LOCATION_CODE> (2,314)
PTNCS

>  <AMOUNT_CURRENT> (2,314)
32.7

$$$$
WAY-632167
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.6917    1.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -1.4667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9750    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -1.8792    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -2.7042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    2.2458    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 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  7  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 11  1  0  0  0  0
 16 18  2  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
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22 24  2  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
 26 20  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
  7  2  2  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,315)
2315

>  <Formula> (2,315)
C18H20ClN3O4S

>  <MolWeight> (2,315)
409.8871

>  <PCAT_CMPD_ID> (2,315)
WAY-632167

>  <CNC_ID> (2,315)
359364687

>  <transfer_container_id> (2,315)
PTN000000069

>  <COMPOUND_NUMBER> (2,315)
WAY-632167

>  <BAR_CODE_NO> (2,315)
90466557

>  <LOCATION_CODE> (2,315)
PTNCS

>  <AMOUNT_CURRENT> (2,315)
33

$$$$
WAY-632208
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2500    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    3.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    3.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    1.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -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  2  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  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  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  7  2  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  2  1  0  0  0  0
 18 16  1  0  0  0  0
 19 24  2  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 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25  8  1  0  0  0  0
 26 19  1  0  0  0  0
 27 28  1  0  0  0  0
 28 25  2  0  0  0  0
  5  4  2  0  0  0  0
 27 20  2  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,316)
2316

>  <Formula> (2,316)
C19H20N6O2S

>  <MolWeight> (2,316)
396.4661

>  <PCAT_CMPD_ID> (2,316)
WAY-632208

>  <CNC_ID> (2,316)
359364728

>  <transfer_container_id> (2,316)
PTN000000069

>  <COMPOUND_NUMBER> (2,316)
WAY-632208

>  <BAR_CODE_NO> (2,316)
90466599

>  <LOCATION_CODE> (2,316)
PTNCS

>  <AMOUNT_CURRENT> (2,316)
32.7

$$$$
WAY-632220
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.3417    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -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  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  4  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  8  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 10  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 14  2  0  0  0  0
 22 21  1  0  0  0  0
 23 17  1  0  0  0  0
 24 16  2  0  0  0  0
 25 23  2  0  0  0  0
 22 15  2  0  0  0  0
 20 13  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,317)
2317

>  <Formula> (2,317)
C20H19N3O2

>  <MolWeight> (2,317)
333.38376

>  <PCAT_CMPD_ID> (2,317)
WAY-632220

>  <CNC_ID> (2,317)
359364740

>  <transfer_container_id> (2,317)
PTN000000069

>  <COMPOUND_NUMBER> (2,317)
WAY-632220

>  <BAR_CODE_NO> (2,317)
90466613

>  <LOCATION_CODE> (2,317)
PTNCS

>  <AMOUNT_CURRENT> (2,317)
32.5

$$$$
WAY-632261
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.1500   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 13  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 14  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  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  2  0  0  0  0
 15 12  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  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 11  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 10 11  1  0  0  0  0
  6  2  2  0  0  0  0
  8  3  1  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,318)
2318

>  <Formula> (2,318)
C18H14N2O4

>  <MolWeight> (2,318)
322.31476

>  <PCAT_CMPD_ID> (2,318)
WAY-632261

>  <CNC_ID> (2,318)
359364781

>  <transfer_container_id> (2,318)
PTN000000069

>  <COMPOUND_NUMBER> (2,318)
WAY-632261

>  <BAR_CODE_NO> (2,318)
90466655

>  <LOCATION_CODE> (2,318)
PTNCS

>  <AMOUNT_CURRENT> (2,318)
32

$$$$
WAY-632268
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.0042   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    2.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -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  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  2  2  0  0  0  0
 10 18  1  0  0  0  0
 11  7  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  1  0  0  0  0
 16 19  2  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  1  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 22  1  0  0  0  0
 25 23  1  0  0  0  0
  4  5  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,319)
2319

>  <Formula> (2,319)
C17H21N3O5

>  <MolWeight> (2,319)
347.36574

>  <PCAT_CMPD_ID> (2,319)
WAY-632268

>  <CNC_ID> (2,319)
359364788

>  <transfer_container_id> (2,319)
PTN000000069

>  <COMPOUND_NUMBER> (2,319)
WAY-632268

>  <BAR_CODE_NO> (2,319)
90466662

>  <LOCATION_CODE> (2,319)
PTNCS

>  <AMOUNT_CURRENT> (2,319)
32

$$$$
WAY-632324
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.3000    2.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    2.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    4.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.9292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4208   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -3.5542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -4.2417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.7625    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 17  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 23  1  0  0  0  0
 14  6  2  0  0  0  0
 15  4  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19  5  1  0  0  0  0
 20 14  1  0  0  0  0
 21 11  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 14  1  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
 15 16  2  0  0  0  0
  5 18  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,320)
2320

>  <Formula> (2,320)
C17H20Cl2N2O4S2

>  <MolWeight> (2,320)
451.3877

>  <PCAT_CMPD_ID> (2,320)
WAY-632324

>  <CNC_ID> (2,320)
359364844

>  <transfer_container_id> (2,320)
PTN000000069

>  <COMPOUND_NUMBER> (2,320)
WAY-632324

>  <BAR_CODE_NO> (2,320)
90466721

>  <LOCATION_CODE> (2,320)
PTNCS

>  <AMOUNT_CURRENT> (2,320)
32.7

$$$$
WAY-632353
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1458   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -1.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    0.3875    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  6  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  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 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 20  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  5  1  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
  3  5  2  0  0  0  0
 16 15  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,321)
2321

>  <Formula> (2,321)
C20H20N2OS

>  <MolWeight> (2,321)
336.4506

>  <PCAT_CMPD_ID> (2,321)
WAY-632353

>  <CNC_ID> (2,321)
359364873

>  <transfer_container_id> (2,321)
PTN000000069

>  <COMPOUND_NUMBER> (2,321)
WAY-632353

>  <BAR_CODE_NO> (2,321)
90466750

>  <LOCATION_CODE> (2,321)
PTNCS

>  <AMOUNT_CURRENT> (2,321)
32.4

$$$$
WAY-632440
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.5083   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    3.8208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    4.1167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    2.6958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -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  7  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  2  0  0  0  0
  8 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10  1  2  0  0  0  0
 11 19  1  0  0  0  0
 12  9  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  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 21  4  1  0  0  0  0
 22  7  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  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
  3  5  2  0  0  0  0
 27 22  2  0  0  0  0
 23  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,322)
2322

>  <Formula> (2,322)
C19H15F3N2O3

>  <MolWeight> (2,322)
376.3292096

>  <PCAT_CMPD_ID> (2,322)
WAY-632440

>  <CNC_ID> (2,322)
359364960

>  <transfer_container_id> (2,322)
PTN000000069

>  <COMPOUND_NUMBER> (2,322)
WAY-632440

>  <BAR_CODE_NO> (2,322)
90466842

>  <LOCATION_CODE> (2,322)
PTNCS

>  <AMOUNT_CURRENT> (2,322)
32.9

$$$$
WAY-649338
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.1333   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.4542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292    0.6083    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  2  1  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  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  3  1  0  0  0  0
 12 11  1  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 14  2  0  0  0  0
 17 16  1  0  0  0  0
  5 13  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,323)
2323

>  <Formula> (2,323)
C12H16ClN3O

>  <MolWeight> (2,323)
253.72794

>  <PCAT_CMPD_ID> (2,323)
WAY-649338

>  <CNC_ID> (2,323)
359365045

>  <transfer_container_id> (2,323)
PTN000000069

>  <COMPOUND_NUMBER> (2,323)
WAY-649338

>  <BAR_CODE_NO> (2,323)
90483982

>  <LOCATION_CODE> (2,323)
PTNCS

>  <AMOUNT_CURRENT> (2,323)
32.9

$$$$
WAY-651536-A
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.4821   -0.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821    0.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993   -1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2711   -1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993    1.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9041   -0.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539   -0.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9041    0.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1571   -1.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1151    1.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906   -1.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1151    2.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0587   -0.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942   -1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0587    0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4867   -0.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4867    0.6577    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
  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
 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
  6  8  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,324)
2324

>  <Formula> (2,324)
C15H18N2O

>  <MolWeight> (2,324)
242.31622

>  <PCAT_CMPD_ID> (2,324)
WAY-651536

>  <CNC_ID> (2,324)
359367243

>  <transfer_container_id> (2,324)
PTN000000069

>  <COMPOUND_NUMBER> (2,324)
WAY-651536

>  <BAR_CODE_NO> (2,324)
90486205

>  <LOCATION_CODE> (2,324)
PTNCS

>  <AMOUNT_CURRENT> (2,324)
32.5

$$$$
CL-401729
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.0197   -0.3240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3128   -1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    1.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561   -0.8102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163   -2.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956   -1.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8956    1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0079    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6852   -2.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1439    2.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0527    1.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423    2.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   -3.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9354    2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251    3.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837    3.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  7 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
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 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
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 13 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,325)
2325

>  <Formula> (2,325)
C17H12N2O2

>  <MolWeight> (2,325)
276.28938

>  <PCAT_CMPD_ID> (2,325)
CL-401729

>  <CNC_ID> (2,325)
359367417

>  <transfer_container_id> (2,325)
PTN000000070

>  <COMPOUND_NUMBER> (2,325)
CL-401729

>  <BAR_CODE_NO> (2,325)
90434650

>  <LOCATION_CODE> (2,325)
PTNCS

>  <AMOUNT_CURRENT> (2,325)
32.6

$$$$
WAY-231622
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.4625   -0.4153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203    1.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    1.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -2.0980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107   -0.3946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -2.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203    2.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    2.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5789   -0.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -2.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    2.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9168   -1.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2789   -2.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    4.1054    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
  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
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,326)
2326

>  <Formula> (2,326)
C14H18BrN3O

>  <MolWeight> (2,326)
324.21622

>  <PCAT_CMPD_ID> (2,326)
WAY-231622

>  <CNC_ID> (2,326)
359367787

>  <transfer_container_id> (2,326)
PTN000000070

>  <COMPOUND_NUMBER> (2,326)
WAY-231622

>  <BAR_CODE_NO> (2,326)
90434386

>  <LOCATION_CODE> (2,326)
PTNCS

>  <AMOUNT_CURRENT> (2,326)
32.3

$$$$
WAY-269121
csChFnd80/11182011152D

 21 23  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
   -1.9250    2.6833    0.0000 N   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
   -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
    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
   -4.4250    1.5333    0.0000 N   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
   -4.0083    0.8208    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
  2  1  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  2  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  2  0  0  0  0
 12  9  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 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 12  1  0  0  0  0
 21 19  1  0  0  0  0
  7  8  2  0  0  0  0
  3  6  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,327)
2327

>  <Formula> (2,327)
C15H15N3O2S

>  <MolWeight> (2,327)
301.3635

>  <PCAT_CMPD_ID> (2,327)
WAY-269121

>  <CNC_ID> (2,327)
359367978

>  <transfer_container_id> (2,327)
PTN000000070

>  <COMPOUND_NUMBER> (2,327)
WAY-269121

>  <BAR_CODE_NO> (2,327)
394990

>  <LOCATION_CODE> (2,327)
PTNCS

>  <AMOUNT_CURRENT> (2,327)
32.5

$$$$
WAY-269267
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4833   -4.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -3.8542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -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  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6 10  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 18  1  0  0  0  0
 11  6  2  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 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17  1  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  2  0  0  0  0
 22 12  1  0  0  0  0
 23 21  1  0  0  0  0
  5  4  1  0  0  0  0
  9 14  2  0  0  0  0
 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,328)
2328

>  <Formula> (2,328)
C18H18ClN3O

>  <MolWeight> (2,328)
327.80802

>  <PCAT_CMPD_ID> (2,328)
WAY-269267

>  <CNC_ID> (2,328)
359368099

>  <transfer_container_id> (2,328)
PTN000000070

>  <COMPOUND_NUMBER> (2,328)
WAY-269267

>  <BAR_CODE_NO> (2,328)
395136

>  <LOCATION_CODE> (2,328)
PTNCS

>  <AMOUNT_CURRENT> (2,328)
32.5

$$$$
WAY-269314
csChFnd80/11182011152D

 33 36  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
    3.0667   -9.5292    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
    3.8667  -10.3417    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
    2.2375   -8.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -8.7250    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
    5.7500  -10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167  -10.4542    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
    7.2042   -9.5417    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
    5.3292   -8.9625    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
    9.4792  -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
    9.1875   -9.2375    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
   12.6792  -12.6750    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 17  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  1  0  0  0  0
 17 16  2  0  0  0  0
 18  4  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  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 19  1  0  0  0  0
 28 20  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 28  2  0  0  0  0
 33 31  1  0  0  0  0
  7  6  1  0  0  0  0
 30 33  2  0  0  0  0
 32 24  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,329)
2329

>  <Formula> (2,329)
C25H25N3O4S

>  <MolWeight> (2,329)
463.5487

>  <PCAT_CMPD_ID> (2,329)
WAY-269314

>  <CNC_ID> (2,329)
359368146

>  <transfer_container_id> (2,329)
PTN000000070

>  <COMPOUND_NUMBER> (2,329)
WAY-269314

>  <BAR_CODE_NO> (2,329)
395183

>  <LOCATION_CODE> (2,329)
PTNCS

>  <AMOUNT_CURRENT> (2,329)
32.5

$$$$
WAY-269320
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.4208    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.3833    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  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  2  0  0  0  0
  8  2  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  3  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 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
  6  5  2  0  0  0  0
 10  9  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,330)
2330

>  <Formula> (2,330)
C14H16N4S

>  <MolWeight> (2,330)
272.36864

>  <PCAT_CMPD_ID> (2,330)
WAY-269320

>  <CNC_ID> (2,330)
359368152

>  <transfer_container_id> (2,330)
PTN000000070

>  <COMPOUND_NUMBER> (2,330)
WAY-269320

>  <BAR_CODE_NO> (2,330)
395189

>  <LOCATION_CODE> (2,330)
PTNCS

>  <AMOUNT_CURRENT> (2,330)
32.5

$$$$
WAY-269321
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.4208    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.6833    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  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  2  0  0  0  0
  8  2  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  3  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 15  1  0  0  0  0
 17 16  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
  6  5  2  0  0  0  0
 10  9  1  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,331)
2331

>  <Formula> (2,331)
C15H18N4S

>  <MolWeight> (2,331)
286.39522

>  <PCAT_CMPD_ID> (2,331)
WAY-269321

>  <CNC_ID> (2,331)
359368153

>  <transfer_container_id> (2,331)
PTN000000070

>  <COMPOUND_NUMBER> (2,331)
WAY-269321

>  <BAR_CODE_NO> (2,331)
395190

>  <LOCATION_CODE> (2,331)
PTNCS

>  <AMOUNT_CURRENT> (2,331)
32.5

$$$$
WAY-269431
csChFnd80/11182011152D

 19 20  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
   -3.8458    1.3125    0.0000 C   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
   -3.1333    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
   -1.7083    2.5583    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
   -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
   -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
   -1.7125    3.3833    0.0000 S   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    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    3.8000    0.0000 C   0  0  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
   -0.2833    2.5708    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  6  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  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  4  2  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,332)
2332

>  <Formula> (2,332)
C12H16N4O2S

>  <MolWeight> (2,332)
280.34604

>  <PCAT_CMPD_ID> (2,332)
WAY-269431

>  <CNC_ID> (2,332)
359368263

>  <transfer_container_id> (2,332)
PTN000000070

>  <COMPOUND_NUMBER> (2,332)
WAY-269431

>  <BAR_CODE_NO> (2,332)
395300

>  <LOCATION_CODE> (2,332)
PTNCS

>  <AMOUNT_CURRENT> (2,332)
32.5

$$$$
WAY-269433
csChFnd80/11182011152D

 20 21  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
   -3.8458    1.3125    0.0000 C   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
   -3.1333    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
   -1.7083    2.5583    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
   -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
   -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
   -1.7125    3.3833    0.0000 S   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    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    3.8000    0.0000 C   0  0  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
   -0.2833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.1583    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  6  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  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  4  2  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,333)
2333

>  <Formula> (2,333)
C13H18N4O2S

>  <MolWeight> (2,333)
294.37262

>  <PCAT_CMPD_ID> (2,333)
WAY-269433

>  <CNC_ID> (2,333)
359368265

>  <transfer_container_id> (2,333)
PTN000000070

>  <COMPOUND_NUMBER> (2,333)
WAY-269433

>  <BAR_CODE_NO> (2,333)
395302

>  <LOCATION_CODE> (2,333)
PTNCS

>  <AMOUNT_CURRENT> (2,333)
32.5

$$$$
WAY-269577
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.4625    2.1583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0708    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    2.7083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2458    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.9333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    3.8000    0.0000 O   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
   -4.3333    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    3.2750    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  1  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  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 18  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  1  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
 20 13  1  0  0  0  0
 17 12  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,334)
2334

>  <Formula> (2,334)
C15H24N2O2S

>  <MolWeight> (2,334)
296.42826

>  <PCAT_CMPD_ID> (2,334)
WAY-269577

>  <CNC_ID> (2,334)
359368409

>  <transfer_container_id> (2,334)
PTN000000070

>  <COMPOUND_NUMBER> (2,334)
WAY-269577

>  <BAR_CODE_NO> (2,334)
395446

>  <LOCATION_CODE> (2,334)
PTNCS

>  <AMOUNT_CURRENT> (2,334)
32.5

$$$$
WAY-269587
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.2958    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.1583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8500    2.7083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2458    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    1.9333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.0833    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
   -4.3333    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    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  2  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  4  2  0  0  0  0
 10  1  1  0  0  0  0
 11  1  1  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 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 15  7  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,335)
2335

>  <Formula> (2,335)
C16H27N3OS

>  <MolWeight> (2,335)
309.47008

>  <PCAT_CMPD_ID> (2,335)
WAY-269587

>  <CNC_ID> (2,335)
359368419

>  <transfer_container_id> (2,335)
PTN000000070

>  <COMPOUND_NUMBER> (2,335)
WAY-269587

>  <BAR_CODE_NO> (2,335)
395456

>  <LOCATION_CODE> (2,335)
PTNCS

>  <AMOUNT_CURRENT> (2,335)
32.5

$$$$
WAY-269724
csChFnd80/11182011152D

 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
   -3.7208    1.1250    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
   -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
   -4.9458    0.8833    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
   -0.6583    1.4333    0.0000 F   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
   -4.2583    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.2708    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
   -1.0125    2.0625    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
   -1.3833    1.4375    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  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  3  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 10  1  0  0  0  0
 15 24  2  0  0  0  0
 16 23  1  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 13  2  0  0  0  0
 21 13  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 19  2  0  0  0  0
 26 20  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
 25 15  1  0  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,336)
2336

>  <Formula> (2,336)
C18H13ClFN5O

>  <MolWeight> (2,336)
369.7801232

>  <PCAT_CMPD_ID> (2,336)
WAY-269724

>  <CNC_ID> (2,336)
359368556

>  <transfer_container_id> (2,336)
PTN000000070

>  <COMPOUND_NUMBER> (2,336)
WAY-269724

>  <BAR_CODE_NO> (2,336)
395593

>  <LOCATION_CODE> (2,336)
PTNCS

>  <AMOUNT_CURRENT> (2,336)
32.5

$$$$
WAY-269728
csChFnd80/11182011152D

 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
   -3.7208    1.1250    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
   -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
   -4.9458    0.8833    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
   -5.3583    0.8083    0.0000 Cl  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
   -1.3750    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.6458    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
   -1.3750    1.4375    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
   -0.6583    1.4333    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  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  3  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 10  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  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 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 16  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  1  0  0  0  0
 15 22  2  0  0  0  0
 25 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,337)
2337

>  <Formula> (2,337)
C19H16ClN5O

>  <MolWeight> (2,337)
365.81624

>  <PCAT_CMPD_ID> (2,337)
WAY-269728

>  <CNC_ID> (2,337)
359368560

>  <transfer_container_id> (2,337)
PTN000000070

>  <COMPOUND_NUMBER> (2,337)
WAY-269728

>  <BAR_CODE_NO> (2,337)
395597

>  <LOCATION_CODE> (2,337)
PTNCS

>  <AMOUNT_CURRENT> (2,337)
32.5

$$$$
WAY-269748
csChFnd80/11182011152D

 27 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
   -2.8250    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
   -4.1458    1.0833    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
   -0.6583    2.2708    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
   -1.7375    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.6875    0.0000 O   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
   -4.2958    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.6250    0.0000 Cl  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
   -3.6250    0.4333    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
    0.0667    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    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  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 10  2  0  0  0  0
 14  7  2  0  0  0  0
 15 19  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 16  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 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
  4  5  2  0  0  0  0
  7  8  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,338)
2338

>  <Formula> (2,338)
C16H15ClN6O4

>  <MolWeight> (2,338)
390.7811

>  <PCAT_CMPD_ID> (2,338)
WAY-269748

>  <CNC_ID> (2,338)
359368580

>  <transfer_container_id> (2,338)
PTN000000070

>  <COMPOUND_NUMBER> (2,338)
WAY-269748

>  <BAR_CODE_NO> (2,338)
395617

>  <LOCATION_CODE> (2,338)
PTNCS

>  <AMOUNT_CURRENT> (2,338)
32.5

$$$$
WAY-269880
csChFnd80/11182011152D

 24 27  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
   -1.3375    2.7333    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    2.3125    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
   -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
   -0.9958    2.9583    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
   -1.0208    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    3.6083    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
   -0.6208    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    3.0083    0.0000 C   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
   -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
   -0.7083    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    3.6583    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
  2  1  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 11  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  4  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 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  8  1  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
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
  9  8  2  0  0  0  0
  4  6  1  0  0  0  0
 23 24  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,339)
2339

>  <Formula> (2,339)
C20H21N3O

>  <MolWeight> (2,339)
319.40024

>  <PCAT_CMPD_ID> (2,339)
WAY-269880

>  <CNC_ID> (2,339)
359368711

>  <transfer_container_id> (2,339)
PTN000000070

>  <COMPOUND_NUMBER> (2,339)
WAY-269880

>  <BAR_CODE_NO> (2,339)
395749

>  <LOCATION_CODE> (2,339)
PTNCS

>  <AMOUNT_CURRENT> (2,339)
29.3

$$$$
WAY-269892
csChFnd80/11182011152D

 24 27  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
   -1.3375    2.7333    0.0000 N   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    2.3125    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
   -1.7333    2.8583    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    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.3750    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
   -0.6708    3.6083    0.0000 C   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
   -0.6208    2.7708    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
   -1.3875    3.5708    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    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    4.0167    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
  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 11  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  3  1  0  0  0  0
 11  5  1  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  4  1  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 10  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  2  0  0  0  0
 24 19  2  0  0  0  0
 10  9  2  0  0  0  0
  2  6  1  0  0  0  0
 23 24  1  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,340)
2340

>  <Formula> (2,340)
C20H21N3O

>  <MolWeight> (2,340)
319.40024

>  <PCAT_CMPD_ID> (2,340)
WAY-269892

>  <CNC_ID> (2,340)
359368723

>  <transfer_container_id> (2,340)
PTN000000070

>  <COMPOUND_NUMBER> (2,340)
WAY-269892

>  <BAR_CODE_NO> (2,340)
395761

>  <LOCATION_CODE> (2,340)
PTNCS

>  <AMOUNT_CURRENT> (2,340)
29.5

$$$$
WAY-269915
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3375    2.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -1.3375    2.3125    0.0000 C   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
   -2.6333    2.2083    0.0000 N   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
   -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
   -3.0333    2.7458    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
   -0.6208    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    3.3750    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
   -0.6708    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    2.8083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    3.5708    0.0000 O   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
   -3.3875    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    3.9833    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
   -3.7500    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.8083    0.0000 H   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  8  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  4  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  7  2  0  0  0  0
 14  4  2  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 16  1  0  0  0  0
 19 13  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  2  0  0  0  0
 25  6  1  0  0  0  0
  9  5  1  0  0  0  0
 17 16  1  0  0  0  0
 10 11  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,341)
2341

>  <Formula> (2,341)
C18H16ClN3O2

>  <MolWeight> (2,341)
341.79154

>  <PCAT_CMPD_ID> (2,341)
WAY-269915

>  <CNC_ID> (2,341)
359368746

>  <transfer_container_id> (2,341)
PTN000000070

>  <COMPOUND_NUMBER> (2,341)
WAY-269915

>  <BAR_CODE_NO> (2,341)
395784

>  <LOCATION_CODE> (2,341)
PTNCS

>  <AMOUNT_CURRENT> (2,341)
29.4

$$$$
WAY-269962
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.4208    1.4958    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
   -1.5958    0.7250    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
   -0.9458    1.1000    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
   -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
   -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
   -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
   -1.6625   -0.0250    0.0000 C   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
    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  9  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  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 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  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 13  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
  8 11  1  0  0  0  0
 16 19  2  0  0  0  0
  7  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,342)
2342

>  <Formula> (2,342)
C12H12N4OS2

>  <MolWeight> (2,342)
292.37988

>  <PCAT_CMPD_ID> (2,342)
WAY-269962

>  <CNC_ID> (2,342)
359368793

>  <transfer_container_id> (2,342)
PTN000000070

>  <COMPOUND_NUMBER> (2,342)
WAY-269962

>  <BAR_CODE_NO> (2,342)
395831

>  <LOCATION_CODE> (2,342)
PTNCS

>  <AMOUNT_CURRENT> (2,342)
27.4

$$$$
WAY-269964
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -3.4208    1.4958    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
   -1.5958    0.7250    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
   -0.9458    1.1000    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
   -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
   -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
   -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
   -1.6625   -0.0250    0.0000 C   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
    0.3542    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.9250    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
    1.6500    1.3625    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  3  1  0  0  0  0
  6  2  2  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 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  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 13  1  0  0  0  0
 18 17  1  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
  8 11  1  0  0  0  0
 20 16  2  0  0  0  0
  7  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,343)
2343

>  <Formula> (2,343)
C14H16N4OS2

>  <MolWeight> (2,343)
320.43304

>  <PCAT_CMPD_ID> (2,343)
WAY-269964

>  <CNC_ID> (2,343)
359368795

>  <transfer_container_id> (2,343)
PTN000000070

>  <COMPOUND_NUMBER> (2,343)
WAY-269964

>  <BAR_CODE_NO> (2,343)
395833

>  <LOCATION_CODE> (2,343)
PTNCS

>  <AMOUNT_CURRENT> (2,343)
32.5

$$$$
WAY-270376
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.8792   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -1.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4208   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -2.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -3.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -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  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  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  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 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 12  2  0  0  0  0
 22 12  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
  6  5  1  0  0  0  0
 17 19  1  0  0  0  0
 14 13  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,344)
2344

>  <Formula> (2,344)
C21H18N2O2S

>  <MolWeight> (2,344)
362.44482

>  <PCAT_CMPD_ID> (2,344)
WAY-270376

>  <CNC_ID> (2,344)
359369206

>  <transfer_container_id> (2,344)
PTN000000070

>  <COMPOUND_NUMBER> (2,344)
WAY-270376

>  <BAR_CODE_NO> (2,344)
396248

>  <LOCATION_CODE> (2,344)
PTNCS

>  <AMOUNT_CURRENT> (2,344)
32.5

$$$$
WAY-270642
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.9590   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487   -1.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7901   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2789   -1.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590    1.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2004    0.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893   -0.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893   -1.8036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7901    1.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237   -0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237   -1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142    2.4964    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590    2.1964    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858    1.3515    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9341   -1.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410    0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410   -2.5278    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  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
  9 13  1  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  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
  7 10  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,345)
2345

>  <Formula> (2,345)
C12H10F3N3O

>  <MolWeight> (2,345)
269.2225096

>  <PCAT_CMPD_ID> (2,345)
WAY-270642

>  <CNC_ID> (2,345)
359369471

>  <transfer_container_id> (2,345)
PTN000000070

>  <COMPOUND_NUMBER> (2,345)
WAY-270642

>  <BAR_CODE_NO> (2,345)
396517

>  <LOCATION_CODE> (2,345)
PTNCS

>  <AMOUNT_CURRENT> (2,345)
32.5

$$$$
WAY-271296
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.5458    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.7958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.4875    0.0000 N   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
    0.0042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.5000    0.0000 S   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
    1.1292   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.4875    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
    0.5167   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -3.1667    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  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  3  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  7  2  0  0  0  0
 16 13  1  0  0  0  0
 17  9  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 10  1  0  0  0  0
 21 14  1  0  0  0  0
 22  5  1  0  0  0  0
 23 27  2  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  9  1  0  0  0  0
 29 28  1  0  0  0  0
 30 23  1  0  0  0  0
 31 30  1  0  0  0  0
  6  5  1  0  0  0  0
 16 18  2  0  0  0  0
 29 22  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,346)
2346

>  <Formula> (2,346)
C24H23N3O3S

>  <MolWeight> (2,346)
433.52272

>  <PCAT_CMPD_ID> (2,346)
WAY-271296

>  <CNC_ID> (2,346)
359370123

>  <transfer_container_id> (2,346)
PTN000000070

>  <COMPOUND_NUMBER> (2,346)
WAY-271296

>  <BAR_CODE_NO> (2,346)
397180

>  <LOCATION_CODE> (2,346)
PTNCS

>  <AMOUNT_CURRENT> (2,346)
32.5

$$$$
WAY-270959
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.8000    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.5208    0.0000 C   0  0  3  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
   -0.7208    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.5542    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
  2  1  1  0  0  0  0
  3  2  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  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 11  1  0  0  0  0
 10  6  2  0  0  0  0
 11  1  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14  5  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
  3  9  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,347)
2347

>  <Formula> (2,347)
C14H17NO3S

>  <MolWeight> (2,347)
279.35468

>  <PCAT_CMPD_ID> (2,347)
WAY-270959

>  <CNC_ID> (2,347)
359369788

>  <transfer_container_id> (2,347)
PTN000000070

>  <COMPOUND_NUMBER> (2,347)
WAY-270959

>  <BAR_CODE_NO> (2,347)
396842

>  <LOCATION_CODE> (2,347)
PTNCS

>  <AMOUNT_CURRENT> (2,347)
32.5

$$$$
WAY-271008
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.7333    4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    5.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    3.8083    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
    0.7792    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    5.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    3.3708    0.0000 S   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
   -0.7833    3.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    2.3083    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
   -3.8208    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    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  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  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  3  2  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 16  8  2  0  0  0  0
 17 15  1  0  0  0  0
 18 12  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 19  1  0  0  0  0
  5  4  1  0  0  0  0
 19 23  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,348)
2348

>  <Formula> (2,348)
C17H14N2O2S3

>  <MolWeight> (2,348)
374.50026

>  <PCAT_CMPD_ID> (2,348)
WAY-271008

>  <CNC_ID> (2,348)
359369837

>  <transfer_container_id> (2,348)
PTN000000070

>  <COMPOUND_NUMBER> (2,348)
WAY-271008

>  <BAR_CODE_NO> (2,348)
396891

>  <LOCATION_CODE> (2,348)
PTNCS

>  <AMOUNT_CURRENT> (2,348)
32.5

$$$$
WAY-271066
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4125   -1.8875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2125   -1.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6125   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   -0.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6125   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -2.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -3.4292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -2.8500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -3.0667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.3458    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  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  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  1  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  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  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  2  1  0  0  0  0
 22 11  1  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
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
  5  4  1  0  0  0  0
 16 17  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,349)
2349

>  <Formula> (2,349)
C17H15F3N2O4S

>  <MolWeight> (2,349)
400.3722096

>  <PCAT_CMPD_ID> (2,349)
WAY-271066

>  <CNC_ID> (2,349)
359369895

>  <transfer_container_id> (2,349)
PTN000000070

>  <COMPOUND_NUMBER> (2,349)
WAY-271066

>  <BAR_CODE_NO> (2,349)
396949

>  <LOCATION_CODE> (2,349)
PTNCS

>  <AMOUNT_CURRENT> (2,349)
32.5

$$$$
WAY-271196
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.7625   -1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.6167    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
    1.6000   -0.8542    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  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  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  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 11  2  0  0  0  0
 17 11  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
  2  4  1  0  0  0  0
 13 10  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,350)
2350

>  <Formula> (2,350)
C16H12N2O2

>  <MolWeight> (2,350)
264.27868

>  <PCAT_CMPD_ID> (2,350)
WAY-271196

>  <CNC_ID> (2,350)
359370025

>  <transfer_container_id> (2,350)
PTN000000070

>  <COMPOUND_NUMBER> (2,350)
WAY-271196

>  <BAR_CODE_NO> (2,350)
397079

>  <LOCATION_CODE> (2,350)
PTNCS

>  <AMOUNT_CURRENT> (2,350)
26.3

$$$$
WAY-271396
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.3167   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    0.7945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0657   -2.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017   -1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841   -1.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175   -0.2232    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  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  3  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  2  0  0  0  0
 14 10  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 17  1  0  0  0  0
 19 15  1  0  0  0  0
  3  6  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,351)
2351

>  <Formula> (2,351)
C13H12N2O3S

>  <MolWeight> (2,351)
276.31098

>  <PCAT_CMPD_ID> (2,351)
WAY-271396

>  <CNC_ID> (2,351)
359370223

>  <transfer_container_id> (2,351)
PTN000000070

>  <COMPOUND_NUMBER> (2,351)
WAY-271396

>  <BAR_CODE_NO> (2,351)
397280

>  <LOCATION_CODE> (2,351)
PTNCS

>  <AMOUNT_CURRENT> (2,351)
32.5

$$$$
WAY-357937
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.5395    0.2028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0175    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985    0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0175   -0.7152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0175    1.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015    0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -0.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525    0.4998    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5835    0.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5835   -0.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.1122    0.0000 C   0  0  0  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  2  2  0  0  0  0
  9  6  1  0  0  0  0
  7 10  2  0  0  0  0
 11  1  1  0  0  0  0
 12  5  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 12  1  0  0  0  0
 17 15  1  0  0  0  0
 16 17  1  0  0  0  0
  6  3  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,352)
2352

>  <Formula> (2,352)
C13H13BrN2O

>  <MolWeight> (2,352)
293.15912

>  <PCAT_CMPD_ID> (2,352)
WAY-357937

>  <CNC_ID> (2,352)
359372064

>  <transfer_container_id> (2,352)
PTN000000070

>  <COMPOUND_NUMBER> (2,352)
WAY-357937

>  <BAR_CODE_NO> (2,352)
90434049

>  <LOCATION_CODE> (2,352)
PTNCS

>  <AMOUNT_CURRENT> (2,352)
32.6

$$$$
WAY-601229
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0285   -1.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681   -1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3423   -0.3991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4733   -1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0612   -0.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784   -2.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0560    0.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871   -0.4198    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5129   -0.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302   -2.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1612    1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4836    0.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2078   -1.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    0.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2405   -1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1612    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3991    3.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508    1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508    2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  2  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  2  0  0  0  0
 11 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 12  1  0  0  0  0
 10 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,353)
2353

>  <Formula> (2,353)
C16H14NO2P

>  <MolWeight> (2,353)
283.261621

>  <PCAT_CMPD_ID> (2,353)
WAY-601229

>  <CNC_ID> (2,353)
359374957

>  <transfer_container_id> (2,353)
PTN000000070

>  <COMPOUND_NUMBER> (2,353)
WAY-601229

>  <BAR_CODE_NO> (2,353)
90434669

>  <LOCATION_CODE> (2,353)
PTNCS

>  <AMOUNT_CURRENT> (2,353)
32.7

$$$$
WAY-601312
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0141    0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624    2.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3555    0.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169   -1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6963    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831    3.5312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969   -1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141   -2.0722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549   -2.1101    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721    1.7381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589    4.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5244    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5900   -2.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1141   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4624   -3.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100   -2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859   -1.3826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100   -3.6791    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  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  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
  9 10  2  0  0  0  0
 13 14  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,354)
2354

>  <Formula> (2,354)
C15H13N3OS2

>  <MolWeight> (2,354)
315.41322

>  <PCAT_CMPD_ID> (2,354)
WAY-601312

>  <CNC_ID> (2,354)
359375040

>  <transfer_container_id> (2,354)
PTN000000070

>  <COMPOUND_NUMBER> (2,354)
WAY-601312

>  <BAR_CODE_NO> (2,354)
90434757

>  <LOCATION_CODE> (2,354)
PTNCS

>  <AMOUNT_CURRENT> (2,354)
32.6

$$$$
WAY-601389
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.7204   -0.6075    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2287   -0.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2213    0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162   -1.1825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338    0.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9296    0.7592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588    1.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912   -0.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1537   -1.1033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704    0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588    1.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2046    1.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796   -0.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9454   -1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7463    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0171    1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.8175    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9704   -1.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -0.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329   -1.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1704   -1.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9204   -0.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4204   -0.7575    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  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  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  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  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 12  1  0  0  0  0
 20  4  1  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
  9 17  2  0  0  0  0
 26 25  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,355)
2355

>  <Formula> (2,355)
C18H16ClN3O3S

>  <MolWeight> (2,355)
389.85594

>  <PCAT_CMPD_ID> (2,355)
WAY-601389

>  <CNC_ID> (2,355)
359375117

>  <transfer_container_id> (2,355)
PTN000000070

>  <COMPOUND_NUMBER> (2,355)
WAY-601389

>  <BAR_CODE_NO> (2,355)
90434836

>  <LOCATION_CODE> (2,355)
PTNCS

>  <AMOUNT_CURRENT> (2,355)
32.9

$$$$
WAY-601390
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.0167   -0.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    1.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -0.1042    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  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  5  2  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  7  1  0  0  0  0
 14 17  1  0  0  0  0
 15  3  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  6  1  0  0  0  0
 20  7  1  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 22  1  0  0  0  0
 24 23  1  0  0  0  0
 14  4  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,356)
2356

>  <Formula> (2,356)
C17H21N3O3S

>  <MolWeight> (2,356)
347.43194

>  <PCAT_CMPD_ID> (2,356)
WAY-601390

>  <CNC_ID> (2,356)
359375118

>  <transfer_container_id> (2,356)
PTN000000070

>  <COMPOUND_NUMBER> (2,356)
WAY-601390

>  <BAR_CODE_NO> (2,356)
90434837

>  <LOCATION_CODE> (2,356)
PTNCS

>  <AMOUNT_CURRENT> (2,356)
32.8

$$$$
WAY-600665
csChFnd80/11182011152D

 19 21  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
    0.6750   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -1.1167    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
    1.0875   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.8792    0.0000 N   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
    1.9042    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    2.0333    0.0000 C   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
   -2.8500   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    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  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 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 12  2  0  0  0  0
 19 15  1  0  0  0  0
  8  7  2  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,357)
2357

>  <Formula> (2,357)
C15H16N4

>  <MolWeight> (2,357)
252.31434

>  <PCAT_CMPD_ID> (2,357)
WAY-600665

>  <CNC_ID> (2,357)
359374384

>  <transfer_container_id> (2,357)
PTN000000070

>  <COMPOUND_NUMBER> (2,357)
WAY-600665

>  <BAR_CODE_NO> (2,357)
90434060

>  <LOCATION_CODE> (2,357)
PTNCS

>  <AMOUNT_CURRENT> (2,357)
32.9

$$$$
WAY-600677
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2625    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5208   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -3.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    3.1833    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  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  5  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  2  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  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 24  1  0  0  0  0
 21 10  2  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  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
  6  5  1  0  0  0  0
 27 25  2  0  0  0  0
 20 11  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,358)
2358

>  <Formula> (2,358)
C22H19N3O2

>  <MolWeight> (2,358)
357.40516

>  <PCAT_CMPD_ID> (2,358)
WAY-600677

>  <CNC_ID> (2,358)
359374396

>  <transfer_container_id> (2,358)
PTN000000070

>  <COMPOUND_NUMBER> (2,358)
WAY-600677

>  <BAR_CODE_NO> (2,358)
90434072

>  <LOCATION_CODE> (2,358)
PTNCS

>  <AMOUNT_CURRENT> (2,358)
32.8

$$$$
WAY-600748
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.3208    0.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209   -0.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2084    0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583   -0.3147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208    0.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8042   -0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791    1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -1.0147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084   -0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    0.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083    1.0853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5958   -1.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5709    0.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958    1.5061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -0.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -1.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791   -1.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208   -1.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209    1.9311    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  9  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 19  1  0  0  0  0
 13  3  1  0  0  0  0
 14  7  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 16  1  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
  4  2  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,359)
2359

>  <Formula> (2,359)
C15H22N2O4

>  <MolWeight> (2,359)
294.34618

>  <PCAT_CMPD_ID> (2,359)
WAY-600748

>  <CNC_ID> (2,359)
359374467

>  <transfer_container_id> (2,359)
PTN000000070

>  <COMPOUND_NUMBER> (2,359)
WAY-600748

>  <BAR_CODE_NO> (2,359)
90434148

>  <LOCATION_CODE> (2,359)
PTNCS

>  <AMOUNT_CURRENT> (2,359)
32.4

$$$$
WAY-600786
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.6083    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    2.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -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  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  4  1  0  0  0  0
 10  6  1  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 10  2  0  0  0  0
 15  9  2  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 15  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22 20  2  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
 27 18  2  0  0  0  0
 28 17  2  0  0  0  0
 29 21  2  0  0  0  0
 30 29  1  0  0  0  0
  8  7  2  0  0  0  0
 27 28  1  0  0  0  0
 30 23  2  0  0  0  0
 24 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,360)
2360

>  <Formula> (2,360)
C24H20N2O4

>  <MolWeight> (2,360)
400.4266

>  <PCAT_CMPD_ID> (2,360)
WAY-600786

>  <CNC_ID> (2,360)
359374505

>  <transfer_container_id> (2,360)
PTN000000070

>  <COMPOUND_NUMBER> (2,360)
WAY-600786

>  <BAR_CODE_NO> (2,360)
90434189

>  <LOCATION_CODE> (2,360)
PTNCS

>  <AMOUNT_CURRENT> (2,360)
32.5

$$$$
WAY-600789
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6750   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.8083    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
   -2.1833   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    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  1  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  1  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  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  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 14  1  0  0  0  0
 19 16  2  0  0  0  0
  6  4  1  0  0  0  0
 18 17  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,361)
2361

>  <Formula> (2,361)
C16H12N2O

>  <MolWeight> (2,361)
248.27928

>  <PCAT_CMPD_ID> (2,361)
WAY-600789

>  <CNC_ID> (2,361)
359374508

>  <transfer_container_id> (2,361)
PTN000000070

>  <COMPOUND_NUMBER> (2,361)
WAY-600789

>  <BAR_CODE_NO> (2,361)
90434192

>  <LOCATION_CODE> (2,361)
PTNCS

>  <AMOUNT_CURRENT> (2,361)
32.2

$$$$
WAY-600793
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3083    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -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  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  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 11  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 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
  5  4  2  0  0  0  0
 10  9  2  0  0  0  0
 25 24  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,362)
2362

>  <Formula> (2,362)
C18H15N5OS

>  <MolWeight> (2,362)
349.4096

>  <PCAT_CMPD_ID> (2,362)
WAY-600793

>  <CNC_ID> (2,362)
359374512

>  <transfer_container_id> (2,362)
PTN000000070

>  <COMPOUND_NUMBER> (2,362)
WAY-600793

>  <BAR_CODE_NO> (2,362)
90434196

>  <LOCATION_CODE> (2,362)
PTNCS

>  <AMOUNT_CURRENT> (2,362)
32.3

$$$$
WAY-600881
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.8958    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -2.3125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3250    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    3.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.8125    0.0000 O   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
    1.2500   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -4.7875    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 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  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  5  1  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  4  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20  5  1  0  0  0  0
 21 24  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 28 25  1  0  0  0  0
  6  4  1  0  0  0  0
 26 22  2  0  0  0  0
 21  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,363)
2363

>  <Formula> (2,363)
C20H21NO7

>  <MolWeight> (2,363)
387.38324

>  <PCAT_CMPD_ID> (2,363)
WAY-600881

>  <CNC_ID> (2,363)
359374609

>  <transfer_container_id> (2,363)
PTN000000070

>  <COMPOUND_NUMBER> (2,363)
WAY-600881

>  <BAR_CODE_NO> (2,363)
90434287

>  <LOCATION_CODE> (2,363)
PTNCS

>  <AMOUNT_CURRENT> (2,363)
32.5

$$$$
WAY-600912-A
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.4542    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.1167    0.0000 C   0  0  3  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
    3.4542    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    0.0583    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
    2.6667    2.6125    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  2  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  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  5  2  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 13  1  0  0  0  0
  7 11  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,364)
2364

>  <Formula> (2,364)
C12H16N2

>  <MolWeight> (2,364)
188.26884

>  <PCAT_CMPD_ID> (2,364)
WAY-600912

>  <CNC_ID> (2,364)
359374640

>  <transfer_container_id> (2,364)
PTN000000070

>  <COMPOUND_NUMBER> (2,364)
WAY-600912

>  <BAR_CODE_NO> (2,364)
90434319

>  <LOCATION_CODE> (2,364)
PTNCS

>  <AMOUNT_CURRENT> (2,364)
32.9

$$$$
WAY-601074
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.0500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    3.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -1.8667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.6292    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
    2.5250   -3.1042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -3.1042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500   -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  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6 13  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  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  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 16 22  2  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 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  3  1  0  0  0  0
 25  4  1  0  0  0  0
 26  6  1  0  0  0  0
 27 19  2  0  0  0  0
 28 27  1  0  0  0  0
  6 14  1  0  0  0  0
 28 25  2  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,365)
2365

>  <Formula> (2,365)
C21H25F2N3OS

>  <MolWeight> (2,365)
405.5045064

>  <PCAT_CMPD_ID> (2,365)
WAY-601074

>  <CNC_ID> (2,365)
359374802

>  <transfer_container_id> (2,365)
PTN000000070

>  <COMPOUND_NUMBER> (2,365)
WAY-601074

>  <BAR_CODE_NO> (2,365)
90434501

>  <LOCATION_CODE> (2,365)
PTNCS

>  <AMOUNT_CURRENT> (2,365)
32.7

$$$$
WAY-601098
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.4333    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -3.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -4.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    1.1250    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
    0.2792    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    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  1  1  0  0  0  0
  4  2  2  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 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10 17  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  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  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21 13  2  0  0  0  0
 22 19  1  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
 25 23  1  0  0  0  0
 24 20  2  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,366)
2366

>  <Formula> (2,366)
C19H20F2N2OS

>  <MolWeight> (2,366)
362.4367064

>  <PCAT_CMPD_ID> (2,366)
WAY-601098

>  <CNC_ID> (2,366)
359374826

>  <transfer_container_id> (2,366)
PTN000000070

>  <COMPOUND_NUMBER> (2,366)
WAY-601098

>  <BAR_CODE_NO> (2,366)
90434526

>  <LOCATION_CODE> (2,366)
PTNCS

>  <AMOUNT_CURRENT> (2,366)
32.3

$$$$
WAY-601143
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.0792   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -5.6792    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  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  8  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 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  3  1  0  0  0  0
 10  7  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,367)
2367

>  <Formula> (2,367)
C12H7FN2OS

>  <MolWeight> (2,367)
246.2601832

>  <PCAT_CMPD_ID> (2,367)
WAY-601143

>  <CNC_ID> (2,367)
359374871

>  <transfer_container_id> (2,367)
PTN000000070

>  <COMPOUND_NUMBER> (2,367)
WAY-601143

>  <BAR_CODE_NO> (2,367)
90434573

>  <LOCATION_CODE> (2,367)
PTNCS

>  <AMOUNT_CURRENT> (2,367)
33

$$$$
WAY-601172
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.0833    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.4583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6292    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6292   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.7792    0.0000 C   0  0  3  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
   -1.5083   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.8708    0.0000 C   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    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -3.2542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    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  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  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19 20  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
 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
  6  4  1  0  0  0  0
 19  8  1  0  0  0  0
 27 26  2  0  0  0  0
 22 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,368)
2368

>  <Formula> (2,368)
C21H21BrN2O3

>  <MolWeight> (2,368)
429.30704

>  <PCAT_CMPD_ID> (2,368)
WAY-601172

>  <CNC_ID> (2,368)
359374900

>  <transfer_container_id> (2,368)
PTN000000070

>  <COMPOUND_NUMBER> (2,368)
WAY-601172

>  <BAR_CODE_NO> (2,368)
90434603

>  <LOCATION_CODE> (2,368)
PTNCS

>  <AMOUNT_CURRENT> (2,368)
32.5

$$$$
WAY-601200
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.9167    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -2.1375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1292    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    2.7833    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
    0.0250   -2.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3792   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    2.5208    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 13  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13 17  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  2  0  0  0  0
 16  4  2  0  0  0  0
 17  9  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  7  1  0  0  0  0
 22 11  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
 11 12  1  0  0  0  0
 26 22  2  0  0  0  0
  5  2  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,369)
2369

>  <Formula> (2,369)
C20H21N3O3

>  <MolWeight> (2,369)
351.39904

>  <PCAT_CMPD_ID> (2,369)
WAY-601200

>  <CNC_ID> (2,369)
359374928

>  <transfer_container_id> (2,369)
PTN000000070

>  <COMPOUND_NUMBER> (2,369)
WAY-601200

>  <BAR_CODE_NO> (2,369)
90434636

>  <LOCATION_CODE> (2,369)
PTNCS

>  <AMOUNT_CURRENT> (2,369)
32.8

$$$$
WAY-601435
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.0208    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.4500    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
   -1.1375   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.9000    0.0000 C   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
  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  2  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  4  1  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 12  1  0  0  0  0
 16 11  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
 20 15  1  0  0  0  0
  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,370)
2370

>  <Formula> (2,370)
C15H19N5

>  <MolWeight> (2,370)
269.34486

>  <PCAT_CMPD_ID> (2,370)
WAY-601435

>  <CNC_ID> (2,370)
359375163

>  <transfer_container_id> (2,370)
PTN000000070

>  <COMPOUND_NUMBER> (2,370)
WAY-601435

>  <BAR_CODE_NO> (2,370)
90434887

>  <LOCATION_CODE> (2,370)
PTNCS

>  <AMOUNT_CURRENT> (2,370)
32.9

$$$$
WAY-601449-A
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.7917   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0792   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9292   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167    0.5458    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  7  1  0  0  0  0
  5  3  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 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  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 13  1  0  0  0  0
 19 12  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
  5  2  1  0  0  0  0
 21 17  2  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,371)
2371

>  <Formula> (2,371)
C17H25NO4

>  <MolWeight> (2,371)
307.3847

>  <PCAT_CMPD_ID> (2,371)
WAY-601449

>  <CNC_ID> (2,371)
359375177

>  <transfer_container_id> (2,371)
PTN000000070

>  <COMPOUND_NUMBER> (2,371)
WAY-601449

>  <BAR_CODE_NO> (2,371)
90434901

>  <LOCATION_CODE> (2,371)
PTNCS

>  <AMOUNT_CURRENT> (2,371)
32.6

$$$$
WAY-601471
csChFnd80/11182011152D

 21 25  0  0  0  0  0  0  0  0999 V2000
   -0.1583    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -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  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  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  2  0  0  0  0
 10  4  1  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  8  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 12  2  0  0  0  0
 19 13  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  2  0  0  0  0
  7  8  2  0  0  0  0
  6  4  1  0  0  0  0
 20 15  2  0  0  0  0
 19 21  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,372)
2372

>  <Formula> (2,372)
C18H17N3

>  <MolWeight> (2,372)
275.34768

>  <PCAT_CMPD_ID> (2,372)
WAY-601471

>  <CNC_ID> (2,372)
359375199

>  <transfer_container_id> (2,372)
PTN000000070

>  <COMPOUND_NUMBER> (2,372)
WAY-601471

>  <BAR_CODE_NO> (2,372)
90434925

>  <LOCATION_CODE> (2,372)
PTNCS

>  <AMOUNT_CURRENT> (2,372)
32.6

$$$$
WAY-601479
csChFnd80/11182011152D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -1.7600   -0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634   -0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048   -0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255    0.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220   -0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4462   -1.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772    0.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220    0.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7738   -1.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255   -0.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220   -0.9081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2427    1.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2186    1.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2358    1.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4082   -1.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7841   -0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2711   -0.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9151    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9358   -1.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9193   -0.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297    0.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952   -0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331   -0.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400    0.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7711    0.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4297    0.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    1.1953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021    0.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849   -1.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8849    1.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    0.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538    0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 29 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  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
 29 31  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (2,373)
2373

>  <Formula> (2,373)
C29H21N3O4

>  <MolWeight> (2,373)
475.49474

>  <PCAT_CMPD_ID> (2,373)
WAY-601479

>  <CNC_ID> (2,373)
359375207

>  <transfer_container_id> (2,373)
PTN000000070

>  <COMPOUND_NUMBER> (2,373)
WAY-601479

>  <BAR_CODE_NO> (2,373)
90434934

>  <LOCATION_CODE> (2,373)
PTNCS

>  <AMOUNT_CURRENT> (2,373)
32.7

$$$$
WAY-601501
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.3417    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    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  2  1  0  0  0  0
  4  7  2  0  0  0  0
  5 16  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  1  0  0  0  0
 15 10  2  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20  6  2  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23 10  1  0  0  0  0
 24 14  1  0  0  0  0
 21  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,374)
2374

>  <Formula> (2,374)
C19H26N4O

>  <MolWeight> (2,374)
326.43594

>  <PCAT_CMPD_ID> (2,374)
WAY-601501

>  <CNC_ID> (2,374)
359375229

>  <transfer_container_id> (2,374)
PTN000000070

>  <COMPOUND_NUMBER> (2,374)
WAY-601501

>  <BAR_CODE_NO> (2,374)
90434957

>  <LOCATION_CODE> (2,374)
PTNCS

>  <AMOUNT_CURRENT> (2,374)
32.5

$$$$
WAY-601505
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.2542   -2.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    5.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -2.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -4.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.8500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 12  2  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8 23  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  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  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 25  1  0  0  0  0
 19  7  1  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22 11  1  0  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 25 21  1  0  0  0  0
 26 20  1  0  0  0  0
 27 19  1  0  0  0  0
 18 26  1  0  0  0  0
  6 16  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,375)
2375

>  <Formula> (2,375)
C17H21ClN4O4S

>  <MolWeight> (2,375)
412.89104

>  <PCAT_CMPD_ID> (2,375)
WAY-601505

>  <CNC_ID> (2,375)
359375233

>  <transfer_container_id> (2,375)
PTN000000070

>  <COMPOUND_NUMBER> (2,375)
WAY-601505

>  <BAR_CODE_NO> (2,375)
90434961

>  <LOCATION_CODE> (2,375)
PTNCS

>  <AMOUNT_CURRENT> (2,375)
32.6

$$$$
WAY-601515
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.1667    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    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  2  0  0  0  0
  4  2  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  3  1  0  0  0  0
  9  7  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 14  1  0  0  0  0
 14  7  2  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 12  2  0  0  0  0
  4  6  2  0  0  0  0
 17 18  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,376)
2376

>  <Formula> (2,376)
C15H13N3

>  <MolWeight> (2,376)
235.28382

>  <PCAT_CMPD_ID> (2,376)
WAY-601515

>  <CNC_ID> (2,376)
359375243

>  <transfer_container_id> (2,376)
PTN000000070

>  <COMPOUND_NUMBER> (2,376)
WAY-601515

>  <BAR_CODE_NO> (2,376)
90434972

>  <LOCATION_CODE> (2,376)
PTNCS

>  <AMOUNT_CURRENT> (2,376)
32.7

$$$$
WAY-601527
csChFnd80/11182011152D

 26 27  0  0  1  0  0  0  0  0999 V2000
   -0.6958    1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.5250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7375   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -2.3625    0.0000 O   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
   -1.4083    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    3.8333    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
   -1.4083    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -3.6167    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  6  0  0  0
  4  8  1  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  7  1  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  2  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 10  2  0  0  0  0
 17 10  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 14  1  0  0  0  0
 22 17  2  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 25 23  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,377)
2377

>  <Formula> (2,377)
C20H28N2O4

>  <MolWeight> (2,377)
360.44732

>  <PCAT_CMPD_ID> (2,377)
WAY-601527

>  <CNC_ID> (2,377)
359375255

>  <transfer_container_id> (2,377)
PTN000000070

>  <COMPOUND_NUMBER> (2,377)
WAY-601527

>  <BAR_CODE_NO> (2,377)
90434984

>  <LOCATION_CODE> (2,377)
PTNCS

>  <AMOUNT_CURRENT> (2,377)
32.8

$$$$
WAY-601553
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.6500   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.2708    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  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  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  2  0  0  0  0
 15  3  2  0  0  0  0
 16  9  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 16  1  0  0  0  0
  4  2  2  0  0  0  0
 13 14  1  0  0  0  0
 10  8  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,378)
2378

>  <Formula> (2,378)
C15H15N3OS

>  <MolWeight> (2,378)
285.3641

>  <PCAT_CMPD_ID> (2,378)
WAY-601553

>  <CNC_ID> (2,378)
359375281

>  <transfer_container_id> (2,378)
PTN000000070

>  <COMPOUND_NUMBER> (2,378)
WAY-601553

>  <BAR_CODE_NO> (2,378)
90435010

>  <LOCATION_CODE> (2,378)
PTNCS

>  <AMOUNT_CURRENT> (2,378)
32.7

$$$$
WAY-601566
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.0208    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.4458    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
   -0.8000    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -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  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  1  0  0  0  0
 11  3  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  8  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 15  2  0  0  0  0
 20 17  2  0  0  0  0
  8  9  2  0  0  0  0
  5  3  1  0  0  0  0
 19 20  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,379)
2379

>  <Formula> (2,379)
C15H19N5

>  <MolWeight> (2,379)
269.34486

>  <PCAT_CMPD_ID> (2,379)
WAY-601566

>  <CNC_ID> (2,379)
359375294

>  <transfer_container_id> (2,379)
PTN000000070

>  <COMPOUND_NUMBER> (2,379)
WAY-601566

>  <BAR_CODE_NO> (2,379)
90435023

>  <LOCATION_CODE> (2,379)
PTNCS

>  <AMOUNT_CURRENT> (2,379)
32.7

$$$$
WAY-601585
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.7125    1.4083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -2.3042    0.0000 O   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
    0.0000    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -4.3667    0.0000 C   0  0  0  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  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9 15  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 12  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 17  1  0  0  0  0
 19  3  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 18  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 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 14  9  1  0  0  0  0
 21 10  1  0  0  0  0
 26 22  2  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,380)
2380

>  <Formula> (2,380)
C23H22N2O3S

>  <MolWeight> (2,380)
406.49738

>  <PCAT_CMPD_ID> (2,380)
WAY-601585

>  <CNC_ID> (2,380)
359375313

>  <transfer_container_id> (2,380)
PTN000000070

>  <COMPOUND_NUMBER> (2,380)
WAY-601585

>  <BAR_CODE_NO> (2,380)
90435042

>  <LOCATION_CODE> (2,380)
PTNCS

>  <AMOUNT_CURRENT> (2,380)
32.5

$$$$
WAY-601605
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.8500    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -2.0250    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
    1.7417   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    1.9583    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
   -2.4208    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    1.5208    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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  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  4  1  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  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  9  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 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  8  6  1  0  0  0  0
 12  9  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,381)
2381

>  <Formula> (2,381)
C18H24N2O2

>  <MolWeight> (2,381)
300.39536

>  <PCAT_CMPD_ID> (2,381)
WAY-601605

>  <CNC_ID> (2,381)
359375333

>  <transfer_container_id> (2,381)
PTN000000070

>  <COMPOUND_NUMBER> (2,381)
WAY-601605

>  <BAR_CODE_NO> (2,381)
90435065

>  <LOCATION_CODE> (2,381)
PTNCS

>  <AMOUNT_CURRENT> (2,381)
32.4

$$$$
WAY-601611
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.0792    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.9458    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.5333    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8000    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.5333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4875   -0.7042    0.0000 C   0  0  3  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
    1.8000   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9208    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -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  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  6  2  0  0  0  0
  8  5  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  5  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15  7  1  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  8  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 20  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 12 15  2  0  0  0  0
 25 24  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,382)
2382

>  <Formula> (2,382)
C18H25N3O4

>  <MolWeight> (2,382)
347.4088

>  <PCAT_CMPD_ID> (2,382)
WAY-601611

>  <CNC_ID> (2,382)
359375339

>  <transfer_container_id> (2,382)
PTN000000070

>  <COMPOUND_NUMBER> (2,382)
WAY-601611

>  <BAR_CODE_NO> (2,382)
90435071

>  <LOCATION_CODE> (2,382)
PTNCS

>  <AMOUNT_CURRENT> (2,382)
32.1

$$$$
WAY-601619
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -3.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    3.4708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    2.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    4.7750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -5.2792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    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  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 15  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  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 19  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 22  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 11  6  2  0  0  0  0
  5 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,383)
2383

>  <Formula> (2,383)
C14H14Br2N2O2S2

>  <MolWeight> (2,383)
466.21116

>  <PCAT_CMPD_ID> (2,383)
WAY-601619

>  <CNC_ID> (2,383)
359375347

>  <transfer_container_id> (2,383)
PTN000000070

>  <COMPOUND_NUMBER> (2,383)
WAY-601619

>  <BAR_CODE_NO> (2,383)
90435079

>  <LOCATION_CODE> (2,383)
PTNCS

>  <AMOUNT_CURRENT> (2,383)
32.1

$$$$
WAY-601674
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.4125    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    1.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375   -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  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  2  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 11  1  0  0  0  0
 13  3  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 19  1  0  0  0  0
 18  5  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21  8  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  8  6  1  0  0  0  0
  7 10  1  0  0  0  0
 24 21  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,384)
2384

>  <Formula> (2,384)
C17H14FN3O2S

>  <MolWeight> (2,384)
343.3753632

>  <PCAT_CMPD_ID> (2,384)
WAY-601674

>  <CNC_ID> (2,384)
359375402

>  <transfer_container_id> (2,384)
PTN000000070

>  <COMPOUND_NUMBER> (2,384)
WAY-601674

>  <BAR_CODE_NO> (2,384)
90435138

>  <LOCATION_CODE> (2,384)
PTNCS

>  <AMOUNT_CURRENT> (2,384)
32.7

$$$$
WAY-601682
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.2745   -0.3117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8453    0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120    0.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9078    0.7716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    0.1633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047    0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5797    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0203   -0.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203   -0.0742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922    1.0841    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630    1.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2495   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255    0.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8745   -0.4409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922    1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    0.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4380    1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4672    0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0078    0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6995   -0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5672    0.8091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828   -0.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495   -1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245   -1.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9297    1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8245   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5995   -2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995   -2.4367    0.0000 C   0  0  0  0  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  2  0  0  0  0
  7  9  1  0  0  0  0
  8  6  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  1  1  0  0  0  0
 14  8  1  0  0  0  0
 15 25  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  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 10  1  0  0  0  0
 22 10  1  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
 26 13  2  0  0  0  0
 27 13  1  0  0  0  0
 28 23  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
  5  4  1  0  0  0  0
 29 31  2  0  0  0  0
 24 15  1  0  0  0  0
  8 12  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,385)
2385

>  <Formula> (2,385)
C23H23N5O2S

>  <MolWeight> (2,385)
433.52602

>  <PCAT_CMPD_ID> (2,385)
WAY-601682

>  <CNC_ID> (2,385)
359375410

>  <transfer_container_id> (2,385)
PTN000000070

>  <COMPOUND_NUMBER> (2,385)
WAY-601682

>  <BAR_CODE_NO> (2,385)
90435146

>  <LOCATION_CODE> (2,385)
PTNCS

>  <AMOUNT_CURRENT> (2,385)
32.2

$$$$
WAY-601765-A
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4750   -0.5667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.6917   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.5750    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 14  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  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  7  2  0  0  0  0
 14 16  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  2  0  0  0  0
 18  3  1  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 19  9  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (2,386)
2386

>  <Formula> (2,386)
C13H12N2O4S

>  <MolWeight> (2,386)
292.31038

>  <PCAT_CMPD_ID> (2,386)
WAY-601765

>  <CNC_ID> (2,386)
359375493

>  <transfer_container_id> (2,386)
PTN000000070

>  <COMPOUND_NUMBER> (2,386)
WAY-601765

>  <BAR_CODE_NO> (2,386)
90435233

>  <LOCATION_CODE> (2,386)
PTNCS

>  <AMOUNT_CURRENT> (2,386)
32.8

$$$$
WAY-601809
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.3125    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -2.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    3.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.2458    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  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 14  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  2  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  9  1  0  0  0  0
 17 21  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 13  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
  5  4  1  0  0  0  0
 22 18  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,387)
2387

>  <Formula> (2,387)
C17H18N2O4

>  <MolWeight> (2,387)
314.33582

>  <PCAT_CMPD_ID> (2,387)
WAY-601809

>  <CNC_ID> (2,387)
359375537

>  <transfer_container_id> (2,387)
PTN000000070

>  <COMPOUND_NUMBER> (2,387)
WAY-601809

>  <BAR_CODE_NO> (2,387)
90435279

>  <LOCATION_CODE> (2,387)
PTNCS

>  <AMOUNT_CURRENT> (2,387)
32.7

$$$$
WAY-601822
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.8042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -0.2542    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
   -1.0500   -0.2542    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
   -1.7708   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958   -0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -1.4917    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  4  2  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 16  2  0  0  0  0
 10 21  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  7  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  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 22  2  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
 23  4  1  0  0  0  0
 24  3  1  0  0  0  0
 25  6  1  0  0  0  0
 26  5  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
  2  6  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  2  0  0  0  0
 11  8  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,388)
2388

>  <Formula> (2,388)
C23H17NO6

>  <MolWeight> (2,388)
403.38418

>  <PCAT_CMPD_ID> (2,388)
WAY-601822

>  <CNC_ID> (2,388)
359375551

>  <transfer_container_id> (2,388)
PTN000000070

>  <COMPOUND_NUMBER> (2,388)
WAY-601822

>  <BAR_CODE_NO> (2,388)
90435293

>  <LOCATION_CODE> (2,388)
PTNCS

>  <AMOUNT_CURRENT> (2,388)
32.6

$$$$
WAY-601840
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.6833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    0.1083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7500    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3958    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5375   -1.1292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    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  4  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  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  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  4  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 11 13  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,389)
2389

>  <Formula> (2,389)
C16H22ClNO2

>  <MolWeight> (2,389)
295.80438

>  <PCAT_CMPD_ID> (2,389)
WAY-601840

>  <CNC_ID> (2,389)
359375569

>  <transfer_container_id> (2,389)
PTN000000070

>  <COMPOUND_NUMBER> (2,389)
WAY-601840

>  <BAR_CODE_NO> (2,389)
90435313

>  <LOCATION_CODE> (2,389)
PTNCS

>  <AMOUNT_CURRENT> (2,389)
32.6

$$$$
WAY-614928
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7750   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    0.0125    0.0000 S   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
   -1.5125   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    0.9208    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  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  2  0  0  0  0
  8  4  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  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  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  2  0  0  0  0
 15 16  1  0  0  0  0
  6  9  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,390)
2390

>  <Formula> (2,390)
C15H14N2O2S

>  <MolWeight> (2,390)
286.34886

>  <PCAT_CMPD_ID> (2,390)
WAY-614928

>  <CNC_ID> (2,390)
359375651

>  <transfer_container_id> (2,390)
PTN000000070

>  <COMPOUND_NUMBER> (2,390)
WAY-614928

>  <BAR_CODE_NO> (2,390)
90448868

>  <LOCATION_CODE> (2,390)
PTNCS

>  <AMOUNT_CURRENT> (2,390)
32

$$$$
WAY-614930
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1208    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.3625    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  7  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  2  2  0  0  0  0
 10  8  2  0  0  0  0
 11  5  2  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
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
  6  4  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,391)
2391

>  <Formula> (2,391)
C14H11N3O2

>  <MolWeight> (2,391)
253.25604

>  <PCAT_CMPD_ID> (2,391)
WAY-614930

>  <CNC_ID> (2,391)
359375653

>  <transfer_container_id> (2,391)
PTN000000070

>  <COMPOUND_NUMBER> (2,391)
WAY-614930

>  <BAR_CODE_NO> (2,391)
90448870

>  <LOCATION_CODE> (2,391)
PTNCS

>  <AMOUNT_CURRENT> (2,391)
32.9

$$$$
WAY-614957-A
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.2167   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    0.3583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5042    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    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 12  1  0  0  0  0
  4  2  2  0  0  0  0
  5  6  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  1  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 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17  2  1  0  0  0  0
 18 20  2  0  0  0  0
 19  4  1  0  0  0  0
 20  6  1  0  0  0  0
 21  5  1  0  0  0  0
 22 18  1  0  0  0  0
 23 13  1  0  0  0  0
 24 17  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
  3 11  1  0  0  0  0
 19 25  2  0  0  0  0
 13 22  2  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,392)
2392

>  <Formula> (2,392)
C22H25N3O2

>  <MolWeight> (2,392)
363.4528

>  <PCAT_CMPD_ID> (2,392)
WAY-614957

>  <CNC_ID> (2,392)
359375680

>  <transfer_container_id> (2,392)
PTN000000070

>  <COMPOUND_NUMBER> (2,392)
WAY-614957

>  <BAR_CODE_NO> (2,392)
90448898

>  <LOCATION_CODE> (2,392)
PTNCS

>  <AMOUNT_CURRENT> (2,392)
32.5

$$$$
WAY-614990
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.9333    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.9583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250    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  3  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 10  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 19  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  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19 20  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  7  1  0  0  0  0
 24 22  2  0  0  0  0
 25 21  2  0  0  0  0
  5  4  2  0  0  0  0
 24 25  1  0  0  0  0
  8 13  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,393)
2393

>  <Formula> (2,393)
C18H13NO6

>  <MolWeight> (2,393)
339.29892

>  <PCAT_CMPD_ID> (2,393)
WAY-614990

>  <CNC_ID> (2,393)
359375713

>  <transfer_container_id> (2,393)
PTN000000070

>  <COMPOUND_NUMBER> (2,393)
WAY-614990

>  <BAR_CODE_NO> (2,393)
90448931

>  <LOCATION_CODE> (2,393)
PTNCS

>  <AMOUNT_CURRENT> (2,393)
32.6

$$$$
WAY-615009
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.5917   -0.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -0.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.6208    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -0.5250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1667   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    0.7125    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 15  1  0  0  0  0
  5  4  1  0  0  0  0
  6 17  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  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 16  2  0  0  0  0
 13  3  2  0  0  0  0
 14  4  2  0  0  0  0
 15 19  1  0  0  0  0
 16  8  1  0  0  0  0
 17 20  2  0  0  0  0
 18  9  1  0  0  0  0
 19  3  1  0  0  0  0
 20 16  1  0  0  0  0
 21  9  1  0  0  0  0
 22 18  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
 23 25  1  0  0  0  0
  2  6  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,394)
2394

>  <Formula> (2,394)
C19H23NO5

>  <MolWeight> (2,394)
345.38962

>  <PCAT_CMPD_ID> (2,394)
WAY-615009

>  <CNC_ID> (2,394)
359375732

>  <transfer_container_id> (2,394)
PTN000000070

>  <COMPOUND_NUMBER> (2,394)
WAY-615009

>  <BAR_CODE_NO> (2,394)
90448951

>  <LOCATION_CODE> (2,394)
PTNCS

>  <AMOUNT_CURRENT> (2,394)
32.6

$$$$
WAY-615013
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.0667    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7667   -2.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6625   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    3.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    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  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  1  1  0  0  0  0
  8 13  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  6  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  4  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
 23 24  1  0  0  0  0
 24 12  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  1  0  0  0  0
  4  3  2  0  0  0  0
 21 22  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,395)
2395

>  <Formula> (2,395)
C21H27N3O3S

>  <MolWeight> (2,395)
401.52238

>  <PCAT_CMPD_ID> (2,395)
WAY-615013

>  <CNC_ID> (2,395)
359375736

>  <transfer_container_id> (2,395)
PTN000000070

>  <COMPOUND_NUMBER> (2,395)
WAY-615013

>  <BAR_CODE_NO> (2,395)
90448955

>  <LOCATION_CODE> (2,395)
PTNCS

>  <AMOUNT_CURRENT> (2,395)
32.2

$$$$
WAY-615034
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4750   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6208   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  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  1  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 15  4  2  0  0  0  0
 16  7  2  0  0  0  0
 17 18  1  0  0  0  0
 18  7  1  0  0  0  0
 19 21  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 10  1  0  0  0  0
 23  2  1  0  0  0  0
 24 13  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 20 11  2  0  0  0  0
  6  4  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,396)
2396

>  <Formula> (2,396)
C20H19NO5

>  <MolWeight> (2,396)
353.36856

>  <PCAT_CMPD_ID> (2,396)
WAY-615034

>  <CNC_ID> (2,396)
359375757

>  <transfer_container_id> (2,396)
PTN000000070

>  <COMPOUND_NUMBER> (2,396)
WAY-615034

>  <BAR_CODE_NO> (2,396)
90448976

>  <LOCATION_CODE> (2,396)
PTNCS

>  <AMOUNT_CURRENT> (2,396)
32.3

$$$$
WAY-615174
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -7.1672    2.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3214    3.3758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1922    0.8758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786    0.0133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2172    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6203   -3.0992    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3672    0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9964    3.4258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2839    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4203   -0.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4453   -2.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3422    0.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0297    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1422    1.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3047   -1.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828    0.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5453   -1.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0578    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1203   -3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7786   -2.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7453   -0.4993    0.0000 C   0  0  0  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 18  1  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  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  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 17  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
 15 14  2  0  0  0  0
  8  5  2  0  0  0  0
 12 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,397)
2397

>  <Formula> (2,397)
C15H11N3O2S2

>  <MolWeight> (2,397)
329.39674

>  <PCAT_CMPD_ID> (2,397)
WAY-615174

>  <CNC_ID> (2,397)
359375896

>  <transfer_container_id> (2,397)
PTN000000070

>  <COMPOUND_NUMBER> (2,397)
WAY-615174

>  <BAR_CODE_NO> (2,397)
90449122

>  <LOCATION_CODE> (2,397)
PTNCS

>  <AMOUNT_CURRENT> (2,397)
32.6

$$$$
WAY-615194
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.0250    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.8583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7875    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    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  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 18  2  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12 23  1  0  0  0  0
 13 22  1  0  0  0  0
 14 12  1  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 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  7  2  0  0  0  0
 21 12  2  0  0  0  0
 22 24  2  0  0  0  0
 23 16  1  0  0  0  0
 24 18  1  0  0  0  0
 25  4  1  0  0  0  0
 26  5  1  0  0  0  0
 27  6  1  0  0  0  0
 28 26  2  0  0  0  0
 29 25  2  0  0  0  0
  4  5  2  0  0  0  0
 29 28  1  0  0  0  0
 13  8  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,398)
2398

>  <Formula> (2,398)
C20H16N2O7

>  <MolWeight> (2,398)
396.35024

>  <PCAT_CMPD_ID> (2,398)
WAY-615194

>  <CNC_ID> (2,398)
359375916

>  <transfer_container_id> (2,398)
PTN000000070

>  <COMPOUND_NUMBER> (2,398)
WAY-615194

>  <BAR_CODE_NO> (2,398)
90449142

>  <LOCATION_CODE> (2,398)
PTNCS

>  <AMOUNT_CURRENT> (2,398)
32.6

$$$$
WAY-615304
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.2375    1.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -3.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    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  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 15  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12 17  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 19  2  0  0  0  0
 16  1  1  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  5  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  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
  4  3  1  0  0  0  0
 25 24  1  0  0  0  0
 18 15  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,399)
2399

>  <Formula> (2,399)
C18H18N6O

>  <MolWeight> (2,399)
334.37512

>  <PCAT_CMPD_ID> (2,399)
WAY-615304

>  <CNC_ID> (2,399)
359376026

>  <transfer_container_id> (2,399)
PTN000000070

>  <COMPOUND_NUMBER> (2,399)
WAY-615304

>  <BAR_CODE_NO> (2,399)
90449256

>  <LOCATION_CODE> (2,399)
PTNCS

>  <AMOUNT_CURRENT> (2,399)
32.6

$$$$
WAY-615331
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.2417   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -2.4292    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  2  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  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  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  1  0  0  0  0
  5  4  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,400)
2400

>  <Formula> (2,400)
C11H8N2O2S

>  <MolWeight> (2,400)
232.25842

>  <PCAT_CMPD_ID> (2,400)
WAY-615331

>  <CNC_ID> (2,400)
359376053

>  <transfer_container_id> (2,400)
PTN000000070

>  <COMPOUND_NUMBER> (2,400)
WAY-615331

>  <BAR_CODE_NO> (2,400)
90449283

>  <LOCATION_CODE> (2,400)
PTNCS

>  <AMOUNT_CURRENT> (2,400)
32.8

$$$$
WAY-615615
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2786    0.1786    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911    0.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0339   -0.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -0.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0422   -1.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9161   -0.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3589    0.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1536    1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536    2.3536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -1.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7464   -1.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661   -1.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9547   -2.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0536   -1.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3161    2.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7411    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911    2.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9661    3.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0547   -1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589   -2.4131    0.0000 C   0  0  0  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  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17  2  1  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 13  1  0  0  0  0
  5 10  2  0  0  0  0
 18  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,401)
2401

>  <Formula> (2,401)
C14H20N2O4S

>  <MolWeight> (2,401)
312.3846

>  <PCAT_CMPD_ID> (2,401)
WAY-615615

>  <CNC_ID> (2,401)
359376337

>  <transfer_container_id> (2,401)
PTN000000070

>  <COMPOUND_NUMBER> (2,401)
WAY-615615

>  <BAR_CODE_NO> (2,401)
90449575

>  <LOCATION_CODE> (2,401)
PTNCS

>  <AMOUNT_CURRENT> (2,401)
32.9

$$$$
WAY-615702
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.9250   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    0.8333    0.0000 C   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
   -0.3958    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.0583    0.0000 C   0  0  0  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  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  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 11  1  0  0  0  0
  4  7  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,402)
2402

>  <Formula> (2,402)
C9H14N2OS

>  <MolWeight> (2,402)
198.28526

>  <PCAT_CMPD_ID> (2,402)
WAY-615702

>  <CNC_ID> (2,402)
359376424

>  <transfer_container_id> (2,402)
PTN000000070

>  <COMPOUND_NUMBER> (2,402)
WAY-615702

>  <BAR_CODE_NO> (2,402)
90449665

>  <LOCATION_CODE> (2,402)
PTNCS

>  <AMOUNT_CURRENT> (2,402)
32.9

$$$$
WAY-632482
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.4167   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -3.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.5958    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
    1.8500    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    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 11  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  3  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  1  0  0  0  0
 13  7  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 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  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 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 18  2  0  0  0  0
 26 24  1  0  0  0  0
 27 22  2  0  0  0  0
 17 16  1  0  0  0  0
  4 12  1  0  0  0  0
 27 25  1  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,403)
2403

>  <Formula> (2,403)
C22H24N2O3

>  <MolWeight> (2,403)
364.43756

>  <PCAT_CMPD_ID> (2,403)
WAY-632482

>  <CNC_ID> (2,403)
359376598

>  <transfer_container_id> (2,403)
PTN000000070

>  <COMPOUND_NUMBER> (2,403)
WAY-632482

>  <BAR_CODE_NO> (2,403)
90466884

>  <LOCATION_CODE> (2,403)
PTNCS

>  <AMOUNT_CURRENT> (2,403)
32

$$$$
WAY-632484
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.7917    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.3833    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
   -0.3458    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  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  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10 14  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  2  0  0  0  0
 13  1  1  0  0  0  0
 14 20  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  2  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22  4  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 21 15  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,404)
2404

>  <Formula> (2,404)
C18H18N2O5

>  <MolWeight> (2,404)
342.34592

>  <PCAT_CMPD_ID> (2,404)
WAY-632484

>  <CNC_ID> (2,404)
359376600

>  <transfer_container_id> (2,404)
PTN000000070

>  <COMPOUND_NUMBER> (2,404)
WAY-632484

>  <BAR_CODE_NO> (2,404)
90466886

>  <LOCATION_CODE> (2,404)
PTNCS

>  <AMOUNT_CURRENT> (2,404)
32.3

$$$$
WAY-632504
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2917    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    0.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.1042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -3.1667    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  8  1  0  0  0  0
  8 13  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  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  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 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 17  1  0  0  0  0
 25 26  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
  4  6  1  0  0  0  0
 15 11  2  0  0  0  0
 25 21  2  0  0  0  0
 28 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,405)
2405

>  <Formula> (2,405)
C21H16ClN3OS2

>  <MolWeight> (2,405)
425.95424

>  <PCAT_CMPD_ID> (2,405)
WAY-632504

>  <CNC_ID> (2,405)
359376620

>  <transfer_container_id> (2,405)
PTN000000070

>  <COMPOUND_NUMBER> (2,405)
WAY-632504

>  <BAR_CODE_NO> (2,405)
90466906

>  <LOCATION_CODE> (2,405)
PTNCS

>  <AMOUNT_CURRENT> (2,405)
32.5

$$$$
WAY-632568
csChFnd80/11182011152D

 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    0.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.6500    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    0.4333    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
    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 17  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
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,406)
2406

>  <Formula> (2,406)
C18H15ClN4OS2

>  <MolWeight> (2,406)
402.9209

>  <PCAT_CMPD_ID> (2,406)
WAY-632568

>  <CNC_ID> (2,406)
359376684

>  <transfer_container_id> (2,406)
PTN000000070

>  <COMPOUND_NUMBER> (2,406)
WAY-632568

>  <BAR_CODE_NO> (2,406)
90466974

>  <LOCATION_CODE> (2,406)
PTNCS

>  <AMOUNT_CURRENT> (2,406)
32.6

$$$$
WAY-632595
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8375   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    1.4833    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   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    3.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -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  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  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 18  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  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 10  1  0  0  0  0
 23 20  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
 13  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,407)
2407

>  <Formula> (2,407)
C17H20N4O3

>  <MolWeight> (2,407)
328.3657

>  <PCAT_CMPD_ID> (2,407)
WAY-632595

>  <CNC_ID> (2,407)
359376711

>  <transfer_container_id> (2,407)
PTN000000070

>  <COMPOUND_NUMBER> (2,407)
WAY-632595

>  <BAR_CODE_NO> (2,407)
90467001

>  <LOCATION_CODE> (2,407)
PTNCS

>  <AMOUNT_CURRENT> (2,407)
32.8

$$$$
WAY-632610
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.0375   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    2.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -3.8542    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  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  5  1  0  0  0  0
  9 11  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  2  2  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
 18  3  1  0  0  0  0
 19  1  1  0  0  0  0
 20 14  1  0  0  0  0
 21 16  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 18  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
  5  3  1  0  0  0  0
 12  8  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,408)
2408

>  <Formula> (2,408)
C20H21N3O5

>  <MolWeight> (2,408)
383.39784

>  <PCAT_CMPD_ID> (2,408)
WAY-632610

>  <CNC_ID> (2,408)
359376726

>  <transfer_container_id> (2,408)
PTN000000070

>  <COMPOUND_NUMBER> (2,408)
WAY-632610

>  <BAR_CODE_NO> (2,408)
90467016

>  <LOCATION_CODE> (2,408)
PTNCS

>  <AMOUNT_CURRENT> (2,408)
32.6

$$$$
WAY-632630
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.6000   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.0583    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
   -2.3833    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -3.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417    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  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 11  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 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  2  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 12  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 16  1  0  0  0  0
 25 15  1  0  0  0  0
 26 21  1  0  0  0  0
 27  8  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
  4  8  2  0  0  0  0
  7  6  2  0  0  0  0
 21 23  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,409)
2409

>  <Formula> (2,409)
C21H22FN3O3S

>  <MolWeight> (2,409)
415.4810832

>  <PCAT_CMPD_ID> (2,409)
WAY-632630

>  <CNC_ID> (2,409)
359376746

>  <transfer_container_id> (2,409)
PTN000000070

>  <COMPOUND_NUMBER> (2,409)
WAY-632630

>  <BAR_CODE_NO> (2,409)
90467037

>  <LOCATION_CODE> (2,409)
PTNCS

>  <AMOUNT_CURRENT> (2,409)
32.6

$$$$
WAY-632697
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.1542    2.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -5.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    4.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -5.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -4.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -4.6917    0.0000 C   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
    1.8750    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    4.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3 11  2  0  0  0  0
  4  9  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  2  2  0  0  0  0
  9 13  1  0  0  0  0
 10  5  2  0  0  0  0
 11  2  1  0  0  0  0
 12 15  1  0  0  0  0
 13  1  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  2  0  0  0  0
 19  7  2  0  0  0  0
 20 12  2  0  0  0  0
 21 24  1  0  0  0  0
 22 16  2  0  0  0  0
 23 16  1  0  0  0  0
 24 26  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27  5  1  0  0  0  0
 28  8  1  0  0  0  0
 29 10  1  0  0  0  0
 30 11  1  0  0  0  0
 31 27  2  0  0  0  0
 32 31  1  0  0  0  0
  4 10  1  0  0  0  0
 32 29  2  0  0  0  0
 24 25  2  0  0  0  0
  6  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,410)
2410

>  <Formula> (2,410)
C23H21N3O6

>  <MolWeight> (2,410)
435.42934

>  <PCAT_CMPD_ID> (2,410)
WAY-632697

>  <CNC_ID> (2,410)
359376813

>  <transfer_container_id> (2,410)
PTN000000070

>  <COMPOUND_NUMBER> (2,410)
WAY-632697

>  <BAR_CODE_NO> (2,410)
90467104

>  <LOCATION_CODE> (2,410)
PTNCS

>  <AMOUNT_CURRENT> (2,410)
32.7

$$$$
WAY-632785
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6583   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.5583    0.0000 N   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
   -2.0833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3708    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.6792    0.0000 C   0  0  3  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
   -2.7958    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    0.5583    0.0000 C   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
    3.6292    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  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  9  1  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  5  1  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 14  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 22  1  0  0  0  0
  7  5  2  0  0  0  0
 20 21  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,411)
2411

>  <Formula> (2,411)
C17H21N3O3

>  <MolWeight> (2,411)
315.36694

>  <PCAT_CMPD_ID> (2,411)
WAY-632785

>  <CNC_ID> (2,411)
359376901

>  <transfer_container_id> (2,411)
PTN000000070

>  <COMPOUND_NUMBER> (2,411)
WAY-632785

>  <BAR_CODE_NO> (2,411)
90467196

>  <LOCATION_CODE> (2,411)
PTNCS

>  <AMOUNT_CURRENT> (2,411)
32.1

$$$$
WAY-632872
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.0792   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.4125    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
   -0.9500    2.1458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6708    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    3.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -3.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6667   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    2.1458    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
  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  6  1  0  0  0  0
  8 14  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  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  2  0  0  0  0
 19 20  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 11  1  0  0  0  0
 24 19  1  0  0  0  0
 25 15  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 28 23  2  0  0  0  0
 29 25  2  0  0  0  0
  2  4  1  0  0  0  0
 24 27  1  0  0  0  0
 15 11  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,412)
2412

>  <Formula> (2,412)
C22H25NO6

>  <MolWeight> (2,412)
399.437

>  <PCAT_CMPD_ID> (2,412)
WAY-632872

>  <CNC_ID> (2,412)
359376988

>  <transfer_container_id> (2,412)
PTN000000070

>  <COMPOUND_NUMBER> (2,412)
WAY-632872

>  <BAR_CODE_NO> (2,412)
90467287

>  <LOCATION_CODE> (2,412)
PTNCS

>  <AMOUNT_CURRENT> (2,412)
32

$$$$
WAY-632882
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.9292    3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    3.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -2.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -3.9167    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  9  1  0  0  0  0
  6  5  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  5  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 16  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18  7  1  0  0  0  0
  8  3  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,413)
2413

>  <Formula> (2,413)
C9H7ClN4O3S

>  <MolWeight> (2,413)
286.69488

>  <PCAT_CMPD_ID> (2,413)
WAY-632882

>  <CNC_ID> (2,413)
359376998

>  <transfer_container_id> (2,413)
PTN000000070

>  <COMPOUND_NUMBER> (2,413)
WAY-632882

>  <BAR_CODE_NO> (2,413)
90467297

>  <LOCATION_CODE> (2,413)
PTNCS

>  <AMOUNT_CURRENT> (2,413)
32.4

$$$$
WAY-632900
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.1208   -1.4667    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
    0.3125   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -3.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    4.7167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.2292    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  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 18  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  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  2  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 16  1  0  0  0  0
 21  7  2  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
 25 26  2  0  0  0  0
 26 14  1  0  0  0  0
 27 12  1  0  0  0  0
 28 12  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
  3  2  2  0  0  0  0
 24 22  2  0  0  0  0
 32 31  1  0  0  0  0
 29 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,414)
2414

>  <Formula> (2,414)
C25H18FNO5

>  <MolWeight> (2,414)
431.4125232

>  <PCAT_CMPD_ID> (2,414)
WAY-632900

>  <CNC_ID> (2,414)
359377016

>  <transfer_container_id> (2,414)
PTN000000070

>  <COMPOUND_NUMBER> (2,414)
WAY-632900

>  <BAR_CODE_NO> (2,414)
90467316

>  <LOCATION_CODE> (2,414)
PTNCS

>  <AMOUNT_CURRENT> (2,414)
32.2

$$$$
WAY-632911
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0125    0.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -2.6917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    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  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  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  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 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 13  2  0  0  0  0
  4  3  1  0  0  0  0
 21 10  2  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,415)
2415

>  <Formula> (2,415)
C15H12FNO4S

>  <MolWeight> (2,415)
321.3234832

>  <PCAT_CMPD_ID> (2,415)
WAY-632911

>  <CNC_ID> (2,415)
359377027

>  <transfer_container_id> (2,415)
PTN000000070

>  <COMPOUND_NUMBER> (2,415)
WAY-632911

>  <BAR_CODE_NO> (2,415)
90467327

>  <LOCATION_CODE> (2,415)
PTNCS

>  <AMOUNT_CURRENT> (2,415)
32.3

$$$$
WAY-632927
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.7333   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.1333    0.0000 N   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
   -0.9458    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    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  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 15  1  0  0  0  0
  8  4  1  0  0  0  0
  9 14  2  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 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  2  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 18  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
  3  5  1  0  0  0  0
  9 13  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,416)
2416

>  <Formula> (2,416)
C18H18N4OS

>  <MolWeight> (2,416)
338.42672

>  <PCAT_CMPD_ID> (2,416)
WAY-632927

>  <CNC_ID> (2,416)
359377043

>  <transfer_container_id> (2,416)
PTN000000070

>  <COMPOUND_NUMBER> (2,416)
WAY-632927

>  <BAR_CODE_NO> (2,416)
90467343

>  <LOCATION_CODE> (2,416)
PTNCS

>  <AMOUNT_CURRENT> (2,416)
32.2

$$$$
WAY-632943
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.8136   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3515   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9895   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0722   -0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1722    0.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8343   -0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343   -1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2895   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4343    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0895    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4105    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1485    0.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6278    1.1207    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  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  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  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  1  0  0  0  0
 16 17  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,417)
2417

>  <Formula> (2,417)
C19H22N2O2

>  <MolWeight> (2,417)
310.39018

>  <PCAT_CMPD_ID> (2,417)
WAY-632943

>  <CNC_ID> (2,417)
359377059

>  <transfer_container_id> (2,417)
PTN000000070

>  <COMPOUND_NUMBER> (2,417)
WAY-632943

>  <BAR_CODE_NO> (2,417)
90467359

>  <LOCATION_CODE> (2,417)
PTNCS

>  <AMOUNT_CURRENT> (2,417)
32.3

$$$$
WAY-632957
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2958    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.2708    0.0000 N   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
    0.9792    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -4.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    3.7083    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  4  2  0  0  0  0
  6  2  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  9  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  1  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
  3  5  1  0  0  0  0
 19 17  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,418)
2418

>  <Formula> (2,418)
C14H11ClN4O

>  <MolWeight> (2,418)
286.71634

>  <PCAT_CMPD_ID> (2,418)
WAY-632957

>  <CNC_ID> (2,418)
359377073

>  <transfer_container_id> (2,418)
PTN000000070

>  <COMPOUND_NUMBER> (2,418)
WAY-632957

>  <BAR_CODE_NO> (2,418)
90467373

>  <LOCATION_CODE> (2,418)
PTNCS

>  <AMOUNT_CURRENT> (2,418)
32.5

$$$$
WAY-633050
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.8208    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -0.6667    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
    1.9292   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    1.9250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0875    1.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2417    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    2.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.1917    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  5  2  0  0  0  0
  5  9  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 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13  1  1  0  0  0  0
 14  6  1  0  0  0  0
 15  3  2  0  0  0  0
 16  2  2  0  0  0  0
 17 14  2  0  0  0  0
 18 12  2  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 14  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
  8  7  1  0  0  0  0
 24 23  1  0  0  0  0
 11  6  2  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,419)
2419

>  <Formula> (2,419)
C18H18N4O3S

>  <MolWeight> (2,419)
370.42552

>  <PCAT_CMPD_ID> (2,419)
WAY-633050

>  <CNC_ID> (2,419)
359377166

>  <transfer_container_id> (2,419)
PTN000000070

>  <COMPOUND_NUMBER> (2,419)
WAY-633050

>  <BAR_CODE_NO> (2,419)
90467467

>  <LOCATION_CODE> (2,419)
PTNCS

>  <AMOUNT_CURRENT> (2,419)
32.1

$$$$
WAY-633483
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.4750   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7458   -0.3292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6625    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    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  1  1  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  4  2  0  0  0  0
  8 10  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  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  2  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  5  1  0  0  0  0
 21 13  1  0  0  0  0
  5  6  1  0  0  0  0
 18 17  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,420)
2420

>  <Formula> (2,420)
C14H15N3O3S

>  <MolWeight> (2,420)
305.3522

>  <PCAT_CMPD_ID> (2,420)
WAY-633483

>  <CNC_ID> (2,420)
359377599

>  <transfer_container_id> (2,420)
PTN000000070

>  <COMPOUND_NUMBER> (2,420)
WAY-633483

>  <BAR_CODE_NO> (2,420)
90467908

>  <LOCATION_CODE> (2,420)
PTNCS

>  <AMOUNT_CURRENT> (2,420)
32.1

$$$$
WAY-633506
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.6000    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.8083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6875   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    2.8708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.8083    0.0000 C   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
   -0.8833    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    4.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.4292    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  9  1  0  0  0  0
  5  2  1  0  0  0  0
  6 16  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  3  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 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  2  2  0  0  0  0
 18 10  2  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21  3  1  0  0  0  0
 22  8  2  0  0  0  0
 23 10  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26 11  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29 19  2  0  0  0  0
 30 21  2  0  0  0  0
 31 30  1  0  0  0  0
 32 28  2  0  0  0  0
 33 29  1  0  0  0  0
 34 33  2  0  0  0  0
 31 26  2  0  0  0  0
 34 32  1  0  0  0  0
  6 15  1  0  0  0  0
 25 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,421)
2421

>  <Formula> (2,421)
C28H30ClN3O2

>  <MolWeight> (2,421)
476.0097

>  <PCAT_CMPD_ID> (2,421)
WAY-633506

>  <CNC_ID> (2,421)
359377622

>  <transfer_container_id> (2,421)
PTN000000070

>  <COMPOUND_NUMBER> (2,421)
WAY-633506

>  <BAR_CODE_NO> (2,421)
90467931

>  <LOCATION_CODE> (2,421)
PTNCS

>  <AMOUNT_CURRENT> (2,421)
32.5

$$$$
WAY-633284
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.7875   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.1417    0.0000 N   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
    1.6875    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -0.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.6833    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
    0.4500   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    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  6  1  0  0  0  0
  4  3  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  4  1  0  0  0  0
  9 12  1  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  7  1  0  0  0  0
 14  2  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  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 13  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  2  0  0  0  0
 13 11  2  0  0  0  0
 23 24  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,422)
2422

>  <Formula> (2,422)
C17H18N4O2S

>  <MolWeight> (2,422)
342.41542

>  <PCAT_CMPD_ID> (2,422)
WAY-633284

>  <CNC_ID> (2,422)
359377400

>  <transfer_container_id> (2,422)
PTN000000070

>  <COMPOUND_NUMBER> (2,422)
WAY-633284

>  <BAR_CODE_NO> (2,422)
90467705

>  <LOCATION_CODE> (2,422)
PTNCS

>  <AMOUNT_CURRENT> (2,422)
32.8

$$$$
WAY-633376
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7125   -1.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1750    0.0000 C   0  0  3  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
   -1.4333    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    3.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -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  4  1  0  0  0  0
  4  5  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  1  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11 15  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 21  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  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 18  2  0  0  0  0
 24 22  2  0  0  0  0
 24 23  1  0  0  0  0
 14  4  1  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,423)
2423

>  <Formula> (2,423)
C17H19N3O3S

>  <MolWeight> (2,423)
345.41606

>  <PCAT_CMPD_ID> (2,423)
WAY-633376

>  <CNC_ID> (2,423)
359377492

>  <transfer_container_id> (2,423)
PTN000000070

>  <COMPOUND_NUMBER> (2,423)
WAY-633376

>  <BAR_CODE_NO> (2,423)
90467798

>  <LOCATION_CODE> (2,423)
PTNCS

>  <AMOUNT_CURRENT> (2,423)
32.4

$$$$
WAY-633385
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.4958    0.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5333    1.2625    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
    1.6292   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    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  2  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  4  2  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 13  1  0  0  0  0
 13  5  2  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  6  2  0  0  0  0
 18  5  1  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21  7  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
  7  9  1  0  0  0  0
 22 12  2  0  0  0  0
 25 21  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,424)
2424

>  <Formula> (2,424)
C19H20N2O3S

>  <MolWeight> (2,424)
356.4387

>  <PCAT_CMPD_ID> (2,424)
WAY-633385

>  <CNC_ID> (2,424)
359377501

>  <transfer_container_id> (2,424)
PTN000000070

>  <COMPOUND_NUMBER> (2,424)
WAY-633385

>  <BAR_CODE_NO> (2,424)
90467807

>  <LOCATION_CODE> (2,424)
PTNCS

>  <AMOUNT_CURRENT> (2,424)
32.9

$$$$
WAY-633396
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.1542   -0.2292    0.0000 N   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
    0.4000   -0.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125   -1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875    1.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    0.8333    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  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 14  1  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  2  0  0  0  0
 14 16  2  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17  8  2  0  0  0  0
 18 10  2  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 20  1  0  0  0  0
 23 22  1  0  0  0  0
  4  6  2  0  0  0  0
  7  9  2  0  0  0  0
 12  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,425)
2425

>  <Formula> (2,425)
C16H17N3O4

>  <MolWeight> (2,425)
315.32388

>  <PCAT_CMPD_ID> (2,425)
WAY-633396

>  <CNC_ID> (2,425)
359377512

>  <transfer_container_id> (2,425)
PTN000000070

>  <COMPOUND_NUMBER> (2,425)
WAY-633396

>  <BAR_CODE_NO> (2,425)
90467818

>  <LOCATION_CODE> (2,425)
PTNCS

>  <AMOUNT_CURRENT> (2,425)
32

$$$$
WAY-633929
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.8458   -2.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -4.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    5.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -0.5750    0.0000 O   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
    0.5875   -4.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    3.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  1  1  0  0  0  0
  8 10  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  2  1  0  0  0  0
 13 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 13  1  0  0  0  0
 17  3  2  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 13  2  0  0  0  0
 21 24  1  0  0  0  0
 22 16  2  0  0  0  0
 23 16  1  0  0  0  0
 24 26  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27  4  1  0  0  0  0
 28  4  1  0  0  0  0
 29  7  1  0  0  0  0
 30 11  1  0  0  0  0
 31 10  1  0  0  0  0
 32 12  1  0  0  0  0
 33 29  2  0  0  0  0
 34 33  1  0  0  0  0
  5  3  1  0  0  0  0
 34 30  2  0  0  0  0
 24 25  2  0  0  0  0
  8  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,426)
2426

>  <Formula> (2,426)
C25H25N3O6

>  <MolWeight> (2,426)
463.4825

>  <PCAT_CMPD_ID> (2,426)
WAY-633929

>  <CNC_ID> (2,426)
359378045

>  <transfer_container_id> (2,426)
PTN000000070

>  <COMPOUND_NUMBER> (2,426)
WAY-633929

>  <BAR_CODE_NO> (2,426)
90468363

>  <LOCATION_CODE> (2,426)
PTNCS

>  <AMOUNT_CURRENT> (2,426)
32.6

$$$$
WAY-633981
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.6625   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.4667    0.0000 C   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
   -1.9125   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.8500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.2542    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  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  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  6  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 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
  5  9  1  0  0  0  0
  2 11  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,427)
2427

>  <Formula> (2,427)
C14H10FN3O2

>  <MolWeight> (2,427)
271.2465032

>  <PCAT_CMPD_ID> (2,427)
WAY-633981

>  <CNC_ID> (2,427)
359378097

>  <transfer_container_id> (2,427)
PTN000000070

>  <COMPOUND_NUMBER> (2,427)
WAY-633981

>  <BAR_CODE_NO> (2,427)
90468416

>  <LOCATION_CODE> (2,427)
PTNCS

>  <AMOUNT_CURRENT> (2,427)
33

$$$$
WAY-634004
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -3.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0500    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
    1.4667    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -2.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3958   -2.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -4.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -4.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.1667    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 14  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  8  1  0  0  0  0
 10 18  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 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17  1  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20  5  1  0  0  0  0
 21  9  2  0  0  0  0
 22 11  2  0  0  0  0
 23 15  2  0  0  0  0
 24 22  1  0  0  0  0
 25  8  1  0  0  0  0
 26 20  1  0  0  0  0
 27 20  2  0  0  0  0
 28 24  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
 16  7  1  0  0  0  0
  6  2  2  0  0  0  0
 23 22  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,428)
2428

>  <Formula> (2,428)
C23H24N2O4S2

>  <MolWeight> (2,428)
456.57766

>  <PCAT_CMPD_ID> (2,428)
WAY-634004

>  <CNC_ID> (2,428)
359378120

>  <transfer_container_id> (2,428)
PTN000000070

>  <COMPOUND_NUMBER> (2,428)
WAY-634004

>  <BAR_CODE_NO> (2,428)
90468439

>  <LOCATION_CODE> (2,428)
PTNCS

>  <AMOUNT_CURRENT> (2,428)
32.7

$$$$
WAY-634040
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.7625   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -0.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958    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  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  5  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  9  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19  6  1  0  0  0  0
 20 24  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  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  8  2  0  0  0  0
 13 17  1  0  0  0  0
 20 11  2  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,429)
2429

>  <Formula> (2,429)
C20H15N3O2S2

>  <MolWeight> (2,429)
393.482

>  <PCAT_CMPD_ID> (2,429)
WAY-634040

>  <CNC_ID> (2,429)
359378156

>  <transfer_container_id> (2,429)
PTN000000070

>  <COMPOUND_NUMBER> (2,429)
WAY-634040

>  <BAR_CODE_NO> (2,429)
90468476

>  <LOCATION_CODE> (2,429)
PTNCS

>  <AMOUNT_CURRENT> (2,429)
32.6

$$$$
WAY-634078
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.3208    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.2208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -1.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    3.4208    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  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  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12  4  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  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
 23 26  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  2  0  0  0  0
 26 14  2  0  0  0  0
 27 12  2  0  0  0  0
 28 12  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
  3  4  1  0  0  0  0
 22 21  1  0  0  0  0
 32 31  2  0  0  0  0
 25 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,430)
2430

>  <Formula> (2,430)
C26H23N3O2S

>  <MolWeight> (2,430)
441.54472

>  <PCAT_CMPD_ID> (2,430)
WAY-634078

>  <CNC_ID> (2,430)
359378194

>  <transfer_container_id> (2,430)
PTN000000070

>  <COMPOUND_NUMBER> (2,430)
WAY-634078

>  <BAR_CODE_NO> (2,430)
90468517

>  <LOCATION_CODE> (2,430)
PTNCS

>  <AMOUNT_CURRENT> (2,430)
32.6

$$$$
WAY-634087
csChFnd80/11182011152D

 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
    1.1375   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375   -0.0292    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
   -2.4333   -0.3042    0.0000 C   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
   -3.1875   -0.6417    0.0000 C   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
   -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
   -1.7208   -0.7167    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  9  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 10  2  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  6  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
 11  7  2  0  0  0  0
  8 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,431)
2431

>  <Formula> (2,431)
C14H12N2OS2

>  <MolWeight> (2,431)
288.38788

>  <PCAT_CMPD_ID> (2,431)
WAY-634087

>  <CNC_ID> (2,431)
359378203

>  <transfer_container_id> (2,431)
PTN000000070

>  <COMPOUND_NUMBER> (2,431)
WAY-634087

>  <BAR_CODE_NO> (2,431)
90468527

>  <LOCATION_CODE> (2,431)
PTNCS

>  <AMOUNT_CURRENT> (2,431)
32

$$$$
WAY-634258
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.4333    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    1.8708    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 12  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  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  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 23  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  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 19  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
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 13 16  1  0  0  0  0
 29 25  2  0  0  0  0
 10  3  2  0  0  0  0
 17 22  1  0  0  0  0
 21 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,432)
2432

>  <Formula> (2,432)
C22H22N4O3

>  <MolWeight> (2,432)
390.43508

>  <PCAT_CMPD_ID> (2,432)
WAY-634258

>  <CNC_ID> (2,432)
359378374

>  <transfer_container_id> (2,432)
PTN000000070

>  <COMPOUND_NUMBER> (2,432)
WAY-634258

>  <BAR_CODE_NO> (2,432)
90468709

>  <LOCATION_CODE> (2,432)
PTNCS

>  <AMOUNT_CURRENT> (2,432)
32.6

$$$$
WAY-634268
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.1625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.9958    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
   -0.1000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.5833    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
    2.3750   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    2.0083    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  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  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  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13 17  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  2  0  0  0  0
 21 14  1  0  0  0  0
 22 12  1  0  0  0  0
 23 21  2  0  0  0  0
 24 19  2  0  0  0  0
 25 22  2  0  0  0  0
 26 16  1  0  0  0  0
 27  9  1  0  0  0  0
 28 11  1  0  0  0  0
 29 24  1  0  0  0  0
 30 26  1  0  0  0  0
 10 12  2  0  0  0  0
 24 25  1  0  0  0  0
 18 16  2  0  0  0  0
  8  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,433)
2433

>  <Formula> (2,433)
C22H21N3O4S

>  <MolWeight> (2,433)
423.48484

>  <PCAT_CMPD_ID> (2,433)
WAY-634268

>  <CNC_ID> (2,433)
359378384

>  <transfer_container_id> (2,433)
PTN000000070

>  <COMPOUND_NUMBER> (2,433)
WAY-634268

>  <BAR_CODE_NO> (2,433)
90468719

>  <LOCATION_CODE> (2,433)
PTNCS

>  <AMOUNT_CURRENT> (2,433)
32.9

$$$$
WAY-634362
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.5333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.7750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3000   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    1.4333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -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  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 18  1  0  0  0  0
  8 13  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  6  2  0  0  0  0
 13 19  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 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 15  1  0  0  0  0
 25 14  2  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  1  0  0  0  0
  3  5  1  0  0  0  0
 25 21  1  0  0  0  0
 20 23  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,434)
2434

>  <Formula> (2,434)
C19H17ClN4O3S

>  <MolWeight> (2,434)
416.88128

>  <PCAT_CMPD_ID> (2,434)
WAY-634362

>  <CNC_ID> (2,434)
359378478

>  <transfer_container_id> (2,434)
PTN000000070

>  <COMPOUND_NUMBER> (2,434)
WAY-634362

>  <BAR_CODE_NO> (2,434)
90468814

>  <LOCATION_CODE> (2,434)
PTNCS

>  <AMOUNT_CURRENT> (2,434)
33

$$$$
WAY-652343
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5833   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    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  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  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  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  3  2  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  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
 12  4  1  0  0  0  0
 11  6  2  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,435)
2435

>  <Formula> (2,435)
C14H11N3O4

>  <MolWeight> (2,435)
285.25484

>  <PCAT_CMPD_ID> (2,435)
WAY-652343

>  <CNC_ID> (2,435)
359379224

>  <transfer_container_id> (2,435)
PTN000000070

>  <COMPOUND_NUMBER> (2,435)
WAY-652343

>  <BAR_CODE_NO> (2,435)
90487018

>  <LOCATION_CODE> (2,435)
PTNCS

>  <AMOUNT_CURRENT> (2,435)
32.3

$$$$
WAY-271839
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.0875    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    2.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.4208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -1.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -0.5167    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  7  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  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10 18  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  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  9  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  6  9  2  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,436)
2436

>  <Formula> (2,436)
C14H20N4O3S

>  <MolWeight> (2,436)
324.3986

>  <PCAT_CMPD_ID> (2,436)
WAY-271839

>  <CNC_ID> (2,436)
359381362

>  <transfer_container_id> (2,436)
PTN000000071

>  <COMPOUND_NUMBER> (2,436)
WAY-271839

>  <BAR_CODE_NO> (2,436)
397725

>  <LOCATION_CODE> (2,436)
PTNCS

>  <AMOUNT_CURRENT> (2,436)
32.5

$$$$
WAY-271879
csChFnd80/11182011152D

 21 23  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
   -0.7208    1.6958    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
   -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
   -0.5500    0.8875    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
    0.2292    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.1917    0.0000 O   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    1.9958    0.0000 C   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
    1.1917   -0.4417    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  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  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  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 16  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 17  1  0  0  0  0
  6  2  2  0  0  0  0
 13 15  2  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,437)
2437

>  <Formula> (2,437)
C14H11N3O3S

>  <MolWeight> (2,437)
301.32044

>  <PCAT_CMPD_ID> (2,437)
WAY-271879

>  <CNC_ID> (2,437)
359381402

>  <transfer_container_id> (2,437)
PTN000000071

>  <COMPOUND_NUMBER> (2,437)
WAY-271879

>  <BAR_CODE_NO> (2,437)
397765

>  <LOCATION_CODE> (2,437)
PTNCS

>  <AMOUNT_CURRENT> (2,437)
32.5

$$$$
WAY-271914
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.2167   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    2.4208    0.0000 C   0  0  0  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  3  1  0  0  0  0
  8  1  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  7  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 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
  4  5  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,438)
2438

>  <Formula> (2,438)
C14H18N2OS

>  <MolWeight> (2,438)
262.37052

>  <PCAT_CMPD_ID> (2,438)
WAY-271914

>  <CNC_ID> (2,438)
359381437

>  <transfer_container_id> (2,438)
PTN000000071

>  <COMPOUND_NUMBER> (2,438)
WAY-271914

>  <BAR_CODE_NO> (2,438)
397800

>  <LOCATION_CODE> (2,438)
PTNCS

>  <AMOUNT_CURRENT> (2,438)
32.5

$$$$
CL-71744
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.3810    3.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8293    4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    3.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954    0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9200    0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2488    3.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3213    5.4687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954    5.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0482    3.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821   -0.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281    1.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826    1.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218    6.6716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5689   -2.0769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9062   -0.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1195   -0.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -3.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9884   -2.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379   -4.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826   -4.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9499   -5.1400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367   -6.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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
 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
 22 23  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,439)
2439

>  <Formula> (2,439)
C16H17N3O3S

>  <MolWeight> (2,439)
331.38948

>  <PCAT_CMPD_ID> (2,439)
CL-71744

>  <CNC_ID> (2,439)
359380602

>  <transfer_container_id> (2,439)
PTN000000071

>  <COMPOUND_NUMBER> (2,439)
CL-71744

>  <BAR_CODE_NO> (2,439)
398320

>  <LOCATION_CODE> (2,439)
PTNCS

>  <AMOUNT_CURRENT> (2,439)
32.5

$$$$
WAY-271459
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.1167   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -3.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -3.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -5.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417   -3.9500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8667   -4.3417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5417   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -2.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -6.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -5.4125    0.0000 O   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
    7.3667   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -3.5125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -5.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -4.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -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  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  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  2  0  0  0  0
 12  9  2  0  0  0  0
 13  4  2  0  0  0  0
 14  4  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20 16  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 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
  5  6  1  0  0  0  0
  7  4  1  0  0  0  0
 16 23  2  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,440)
2440

>  <Formula> (2,440)
C18H17ClN2O4S

>  <MolWeight> (2,440)
392.85658

>  <PCAT_CMPD_ID> (2,440)
WAY-271459

>  <CNC_ID> (2,440)
359380987

>  <transfer_container_id> (2,440)
PTN000000071

>  <COMPOUND_NUMBER> (2,440)
WAY-271459

>  <BAR_CODE_NO> (2,440)
397344

>  <LOCATION_CODE> (2,440)
PTNCS

>  <AMOUNT_CURRENT> (2,440)
32.5

$$$$
WAY-271562
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.0167   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.8375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -4.7625    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  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 23  1  0  0  0  0
 25 24  1  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
  4  7  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,441)
2441

>  <Formula> (2,441)
C21H23N3O2S2

>  <MolWeight> (2,441)
413.55622

>  <PCAT_CMPD_ID> (2,441)
WAY-271562

>  <CNC_ID> (2,441)
359381090

>  <transfer_container_id> (2,441)
PTN000000071

>  <COMPOUND_NUMBER> (2,441)
WAY-271562

>  <BAR_CODE_NO> (2,441)
397448

>  <LOCATION_CODE> (2,441)
PTNCS

>  <AMOUNT_CURRENT> (2,441)
32.5

$$$$
WAY-271602
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.5708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    3.3833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5500    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -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  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  2  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 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  9  1  0  0  0  0
 17  9  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
  4  6  1  0  0  0  0
 12 14  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,442)
2442

>  <Formula> (2,442)
C15H12ClN3S

>  <MolWeight> (2,442)
301.79388

>  <PCAT_CMPD_ID> (2,442)
WAY-271602

>  <CNC_ID> (2,442)
359381125

>  <transfer_container_id> (2,442)
PTN000000071

>  <COMPOUND_NUMBER> (2,442)
WAY-271602

>  <BAR_CODE_NO> (2,442)
397488

>  <LOCATION_CODE> (2,442)
PTNCS

>  <AMOUNT_CURRENT> (2,442)
32.5

$$$$
WAY-271689
csChFnd80/11182011152D

 18 19  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
   -1.5083    0.2708    0.0000 C   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
   -1.2458   -0.5250    0.0000 S   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
   -0.4125   -0.5167    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
   -0.8458    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.2708    0.0000 C   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
   -2.1958    2.9583    0.0000 O   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
    0.0917   -1.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    3.8833    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  5  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  1  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  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 13 12  2  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,443)
2443

>  <Formula> (2,443)
C11H9ClN2O2S2

>  <MolWeight> (2,443)
300.78436

>  <PCAT_CMPD_ID> (2,443)
WAY-271689

>  <CNC_ID> (2,443)
359381212

>  <transfer_container_id> (2,443)
PTN000000071

>  <COMPOUND_NUMBER> (2,443)
WAY-271689

>  <BAR_CODE_NO> (2,443)
397575

>  <LOCATION_CODE> (2,443)
PTNCS

>  <AMOUNT_CURRENT> (2,443)
32.5

$$$$
WAY-271923
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.6167   -1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    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  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  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10 14  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 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
  5  3  2  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,444)
2444

>  <Formula> (2,444)
C11H12N4O

>  <MolWeight> (2,444)
216.23918

>  <PCAT_CMPD_ID> (2,444)
WAY-271923

>  <CNC_ID> (2,444)
359381445

>  <transfer_container_id> (2,444)
PTN000000071

>  <COMPOUND_NUMBER> (2,444)
WAY-271923

>  <BAR_CODE_NO> (2,444)
397806

>  <LOCATION_CODE> (2,444)
PTNCS

>  <AMOUNT_CURRENT> (2,444)
32.5

$$$$
WAY-271955
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -6.2292    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1167    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1167    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    2.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    3.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -2.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    6.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    6.8917    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  2  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  7  2  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 17  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  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 21  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
  5  3  1  0  0  0  0
 18 13  2  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,445)
2445

>  <Formula> (2,445)
C15H16ClN5O

>  <MolWeight> (2,445)
317.77344

>  <PCAT_CMPD_ID> (2,445)
WAY-271955

>  <CNC_ID> (2,445)
359381477

>  <transfer_container_id> (2,445)
PTN000000071

>  <COMPOUND_NUMBER> (2,445)
WAY-271955

>  <BAR_CODE_NO> (2,445)
397838

>  <LOCATION_CODE> (2,445)
PTNCS

>  <AMOUNT_CURRENT> (2,445)
32.5

$$$$
WAY-271976
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.1708  -19.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583  -19.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083  -20.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083  -18.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708  -19.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583  -19.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208  -20.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250  -19.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917  -19.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083  -19.9750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750  -19.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708  -20.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417  -19.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917  -20.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083  -18.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583  -19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000  -19.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333  -18.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250  -20.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917  -20.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417  -19.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917  -19.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417  -20.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -20.0292    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  5  1  0  0  0  0
  5  1  2  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 16  1  0  0  0  0
 10  6  1  0  0  0  0
 11 12  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  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  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 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  2  6  1  0  0  0  0
 11  8  2  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,446)
2446

>  <Formula> (2,446)
C17H16N4O2S

>  <MolWeight> (2,446)
340.39954

>  <PCAT_CMPD_ID> (2,446)
WAY-271976

>  <CNC_ID> (2,446)
359381498

>  <transfer_container_id> (2,446)
PTN000000071

>  <COMPOUND_NUMBER> (2,446)
WAY-271976

>  <BAR_CODE_NO> (2,446)
397859

>  <LOCATION_CODE> (2,446)
PTNCS

>  <AMOUNT_CURRENT> (2,446)
32.5

$$$$
WAY-271981
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.9458  -19.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333  -19.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833  -20.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833  -19.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458  -19.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333  -19.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958  -20.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000  -19.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833  -19.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833  -20.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500  -19.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458  -20.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333  -19.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250  -20.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750  -20.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833  -20.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833  -18.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167  -19.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667  -20.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333  -19.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750  -19.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667  -19.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833  -20.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7083  -18.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750  -20.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292  -19.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083  -20.5625    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  5  1  0  0  0  0
  5  1  2  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 20  1  0  0  0  0
 10  6  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 16  9  2  0  0  0  0
 17  4  1  0  0  0  0
 18 22  2  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 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24  8  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 27 12  1  0  0  0  0
  2  6  1  0  0  0  0
 11  8  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,447)
2447

>  <Formula> (2,447)
C19H21N5O2S

>  <MolWeight> (2,447)
383.46734

>  <PCAT_CMPD_ID> (2,447)
WAY-271981

>  <CNC_ID> (2,447)
359381503

>  <transfer_container_id> (2,447)
PTN000000071

>  <COMPOUND_NUMBER> (2,447)
WAY-271981

>  <BAR_CODE_NO> (2,447)
397864

>  <LOCATION_CODE> (2,447)
PTNCS

>  <AMOUNT_CURRENT> (2,447)
32.5

$$$$
WAY-272047
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.9346    1.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    0.7407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975    2.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3078    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0048    2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760    2.3695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2058    4.3990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3544    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9738    3.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7107    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    3.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8456    4.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6087    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1588    5.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1188    4.1586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3277    2.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6439    3.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6028    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5255    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7712    6.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7263    7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4850    6.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0822    7.4377    0.0000 C   0  0  0  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 14  1  0  0  0  0
  9  5  1  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  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  3  1  0  0  0  0
 18  9  2  0  0  0  0
 19 10  2  0  0  0  0
 20 18  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
  6  5  2  0  0  0  0
  8 15  1  0  0  0  0
 18 19  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,448)
2448

>  <Formula> (2,448)
C19H16ClFN2OS

>  <MolWeight> (2,448)
374.8595432

>  <PCAT_CMPD_ID> (2,448)
WAY-272047

>  <CNC_ID> (2,448)
359381570

>  <transfer_container_id> (2,448)
PTN000000071

>  <COMPOUND_NUMBER> (2,448)
WAY-272047

>  <BAR_CODE_NO> (2,448)
397932

>  <LOCATION_CODE> (2,448)
PTNCS

>  <AMOUNT_CURRENT> (2,448)
32.5

$$$$
WAY-272060
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.1292    0.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875    0.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -1.1000    0.0000 C   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
    7.1125   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.8167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.9750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -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  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5 15  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  6  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 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17  3  2  0  0  0  0
 18  7  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23  4  1  0  0  0  0
 24  6  2  0  0  0  0
 25 26  2  0  0  0  0
 26 24  1  0  0  0  0
 16  5  1  0  0  0  0
 25  8  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,449)
2449

>  <Formula> (2,449)
C16H15F3N2O4S

>  <MolWeight> (2,449)
388.3615096

>  <PCAT_CMPD_ID> (2,449)
WAY-272060

>  <CNC_ID> (2,449)
359381583

>  <transfer_container_id> (2,449)
PTN000000071

>  <COMPOUND_NUMBER> (2,449)
WAY-272060

>  <BAR_CODE_NO> (2,449)
397946

>  <LOCATION_CODE> (2,449)
PTNCS

>  <AMOUNT_CURRENT> (2,449)
32.5

$$$$
WAY-272118
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.6984    4.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644    4.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6984    2.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    2.1572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126    4.2591    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3126    2.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467    4.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1447    5.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0074    2.4680    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126    5.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7056    5.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1646    5.6717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2396    2.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    2.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6933    2.9091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5144    9.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5144    7.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126    7.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7056    7.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1611    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1914    3.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8648    2.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   10.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4610    9.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965    9.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8023    0.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1095    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9809    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3238    2.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542    0.6572    0.0000 C   0  0  0  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  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  3  0  0  0  0
 13  8  3  0  0  0  0
 14 22  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  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  9  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  1  0  0  0  0
 27 23  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 30  2  0  0  0  0
  6  5  1  0  0  0  0
 18 19  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,450)
2450

>  <Formula> (2,450)
C24H28N4O2S

>  <MolWeight> (2,450)
436.56972

>  <PCAT_CMPD_ID> (2,450)
WAY-272118

>  <CNC_ID> (2,450)
359381641

>  <transfer_container_id> (2,450)
PTN000000071

>  <COMPOUND_NUMBER> (2,450)
WAY-272118

>  <BAR_CODE_NO> (2,450)
398004

>  <LOCATION_CODE> (2,450)
PTNCS

>  <AMOUNT_CURRENT> (2,450)
32.5

$$$$
WAY-272126
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.9875   -5.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -3.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -6.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -7.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3792   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -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  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  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 14  9  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,451)
2451

>  <Formula> (2,451)
C11H15NO2S2

>  <MolWeight> (2,451)
257.3723

>  <PCAT_CMPD_ID> (2,451)
WAY-272126

>  <CNC_ID> (2,451)
359381649

>  <transfer_container_id> (2,451)
PTN000000071

>  <COMPOUND_NUMBER> (2,451)
WAY-272126

>  <BAR_CODE_NO> (2,451)
398012

>  <LOCATION_CODE> (2,451)
PTNCS

>  <AMOUNT_CURRENT> (2,451)
32.5

$$$$
WAY-272164
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.5042    3.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    4.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542    1.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667    5.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2417    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500    7.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6792    5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292    7.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917    4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7667    7.2417    0.0000 C   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
    3.5875    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   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  1  1  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  7  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  7  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  3  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 20  1  0  0  0  0
  5  6  1  0  0  0  0
 14 13  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,452)
2452

>  <Formula> (2,452)
C15H16N2O2S2

>  <MolWeight> (2,452)
320.42974

>  <PCAT_CMPD_ID> (2,452)
WAY-272164

>  <CNC_ID> (2,452)
359381687

>  <transfer_container_id> (2,452)
PTN000000071

>  <COMPOUND_NUMBER> (2,452)
WAY-272164

>  <BAR_CODE_NO> (2,452)
398050

>  <LOCATION_CODE> (2,452)
PTNCS

>  <AMOUNT_CURRENT> (2,452)
32.5

$$$$
WAY-272168
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.2042    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792    4.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625    2.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4375    6.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0792    7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042    7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    7.7375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5167    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042    2.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    7.0792    0.0000 C   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
    5.5417   10.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.2667    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  1  1  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  7  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  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  3  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
  5  6  1  0  0  0  0
 14 13  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,453)
2453

>  <Formula> (2,453)
C14H13BrN2O2S2

>  <MolWeight> (2,453)
385.29922

>  <PCAT_CMPD_ID> (2,453)
WAY-272168

>  <CNC_ID> (2,453)
359381691

>  <transfer_container_id> (2,453)
PTN000000071

>  <COMPOUND_NUMBER> (2,453)
WAY-272168

>  <BAR_CODE_NO> (2,453)
398054

>  <LOCATION_CODE> (2,453)
PTNCS

>  <AMOUNT_CURRENT> (2,453)
32.5

$$$$
WAY-272246
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.2417   -7.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -9.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8875   -8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875  -10.0750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792  -10.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -6.7750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0792   -9.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7125   -9.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -7.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6667   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500   -5.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -11.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -4.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -7.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5917   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -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  4  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  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  1  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 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  4  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
 19 15  2  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  2  0  0  0  0
 26 20  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
 30 24  2  0  0  0  0
 31 29  2  0  0  0  0
  7  3  1  0  0  0  0
  9 11  1  0  0  0  0
 30 31  1  0  0  0  0
 12 14  1  0  0  0  0
 23 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,454)
2454

>  <Formula> (2,454)
C23H17N3O4S

>  <MolWeight> (2,454)
431.46378

>  <PCAT_CMPD_ID> (2,454)
WAY-272246

>  <CNC_ID> (2,454)
359381769

>  <transfer_container_id> (2,454)
PTN000000071

>  <COMPOUND_NUMBER> (2,454)
WAY-272246

>  <BAR_CODE_NO> (2,454)
398132

>  <LOCATION_CODE> (2,454)
PTNCS

>  <AMOUNT_CURRENT> (2,454)
32.5

$$$$
WAY-272306
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.1917   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -7.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6667   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -5.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9042   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -7.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292   -9.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -5.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -3.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792   -7.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -8.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7167   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.9750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -2.6250    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  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  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16 26  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  9  1  0  0  0  0
 24  9  1  0  0  0  0
 25 12  2  0  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28  8  2  0  0  0  0
 29 30  2  0  0  0  0
 30 28  1  0  0  0  0
  4  2  1  0  0  0  0
 19 21  1  0  0  0  0
 25 29  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,455)
2455

>  <Formula> (2,455)
C22H22FN3O4

>  <MolWeight> (2,455)
411.4261832

>  <PCAT_CMPD_ID> (2,455)
WAY-272306

>  <CNC_ID> (2,455)
359381829

>  <transfer_container_id> (2,455)
PTN000000071

>  <COMPOUND_NUMBER> (2,455)
WAY-272306

>  <BAR_CODE_NO> (2,455)
398193

>  <LOCATION_CODE> (2,455)
PTNCS

>  <AMOUNT_CURRENT> (2,455)
32.5

$$$$
WAY-272394
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.7250   -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
   -2.4458   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.8333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3083   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6458    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  2  1  0  0  0  0
  5  9  2  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 10  1  0  0  0  0
 10  1  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 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18  4  2  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 20  1  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 23  1  0  0  0  0
 27 23  1  0  0  0  0
  5  8  1  0  0  0  0
  7  4  1  0  0  0  0
 11 17  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,456)
2456

>  <Formula> (2,456)
C20H23N3O2S2

>  <MolWeight> (2,456)
401.54552

>  <PCAT_CMPD_ID> (2,456)
WAY-272394

>  <CNC_ID> (2,456)
359381917

>  <transfer_container_id> (2,456)
PTN000000071

>  <COMPOUND_NUMBER> (2,456)
WAY-272394

>  <BAR_CODE_NO> (2,456)
398280

>  <LOCATION_CODE> (2,456)
PTNCS

>  <AMOUNT_CURRENT> (2,456)
32.5

$$$$
WAY-272533
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.1042   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917   -1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542   -1.1667    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
   11.9292   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417    1.1125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.3917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -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  4  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  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  2  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
  5  6  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,457)
2457

>  <Formula> (2,457)
C14H15F2NO

>  <MolWeight> (2,457)
251.2718064

>  <PCAT_CMPD_ID> (2,457)
WAY-272533

>  <CNC_ID> (2,457)
359382056

>  <transfer_container_id> (2,457)
PTN000000071

>  <COMPOUND_NUMBER> (2,457)
WAY-272533

>  <BAR_CODE_NO> (2,457)
398421

>  <LOCATION_CODE> (2,457)
PTNCS

>  <AMOUNT_CURRENT> (2,457)
32.5

$$$$
WAY-272651
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.7583    2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    2.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    3.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5333    1.6458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5833    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8333   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   -1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0625   -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  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  8  1  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  9  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  6  1  0  0  0  0
 21  5  1  0  0  0  0
 22 19  1  0  0  0  0
  6  4  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,458)
2458

>  <Formula> (2,458)
C15H18N2O4S

>  <MolWeight> (2,458)
322.37942

>  <PCAT_CMPD_ID> (2,458)
WAY-272651

>  <CNC_ID> (2,458)
359382174

>  <transfer_container_id> (2,458)
PTN000000071

>  <COMPOUND_NUMBER> (2,458)
WAY-272651

>  <BAR_CODE_NO> (2,458)
398542

>  <LOCATION_CODE> (2,458)
PTNCS

>  <AMOUNT_CURRENT> (2,458)
32.5

$$$$
WAY-272666
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.7583    2.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    2.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    3.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5333    1.6458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5833    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9958    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8125    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2167    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    3.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0417    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4625    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4625    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2792    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0542   -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  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  8  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  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17  5  1  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 21  1  0  0  0  0
  6  4  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,459)
2459

>  <Formula> (2,459)
C15H18N2O4S

>  <MolWeight> (2,459)
322.37942

>  <PCAT_CMPD_ID> (2,459)
WAY-272666

>  <CNC_ID> (2,459)
359382189

>  <transfer_container_id> (2,459)
PTN000000071

>  <COMPOUND_NUMBER> (2,459)
WAY-272666

>  <BAR_CODE_NO> (2,459)
398557

>  <LOCATION_CODE> (2,459)
PTNCS

>  <AMOUNT_CURRENT> (2,459)
32.5

$$$$
WAY-272676
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.7250    2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    2.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000    2.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.9583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.9750    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    3.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0917    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9750    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7167    4.8875    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 10  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  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  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 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  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 20  1  0  0  0  0
  8  4  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,460)
2460

>  <Formula> (2,460)
C14H16N2O4S

>  <MolWeight> (2,460)
308.35284

>  <PCAT_CMPD_ID> (2,460)
WAY-272676

>  <CNC_ID> (2,460)
359382199

>  <transfer_container_id> (2,460)
PTN000000071

>  <COMPOUND_NUMBER> (2,460)
WAY-272676

>  <BAR_CODE_NO> (2,460)
398567

>  <LOCATION_CODE> (2,460)
PTNCS

>  <AMOUNT_CURRENT> (2,460)
32.5

$$$$
WAY-272683
csChFnd80/11182011152D

 22 23  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
   -0.2833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.9708    0.0000 O   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  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  8  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 21  1  0  0  0  0
  3  5  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,461)
2461

>  <Formula> (2,461)
C15H17N3O4

>  <MolWeight> (2,461)
303.31318

>  <PCAT_CMPD_ID> (2,461)
WAY-272683

>  <CNC_ID> (2,461)
359382206

>  <transfer_container_id> (2,461)
PTN000000071

>  <COMPOUND_NUMBER> (2,461)
WAY-272683

>  <BAR_CODE_NO> (2,461)
398574

>  <LOCATION_CODE> (2,461)
PTNCS

>  <AMOUNT_CURRENT> (2,461)
32.5

$$$$
WAY-272794
csChFnd80/11182011152D

 23 25  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
   -2.2500    2.2083    0.0000 O   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
   -3.0208    1.2875    0.0000 S   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
   -3.9208    3.2333    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
   -4.6583    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4750    1.0458    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
   -5.9583    1.7208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   -0.3667    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
   -3.4375    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    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
   -3.0458    5.3792    0.0000 C   0  0  0  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  2  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  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 14  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
 16 20  1  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
 19 16  2  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 21  1  0  0  0  0
 10  4  1  0  0  0  0
 23 22  2  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,462)
2462

>  <Formula> (2,462)
C16H15ClN2O2S2

>  <MolWeight> (2,462)
366.8855

>  <PCAT_CMPD_ID> (2,462)
WAY-272794

>  <CNC_ID> (2,462)
359382317

>  <transfer_container_id> (2,462)
PTN000000071

>  <COMPOUND_NUMBER> (2,462)
WAY-272794

>  <BAR_CODE_NO> (2,462)
398685

>  <LOCATION_CODE> (2,462)
PTNCS

>  <AMOUNT_CURRENT> (2,462)
26.27

$$$$
WAY-272937
csChFnd80/11182011152D

 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
   -2.3083    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    2.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    3.6958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.2833    0.0000 O   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
    1.2667    2.0458    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
    1.2542    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  9  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  2  2  0  0  0  0
 12  4  2  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  3  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 12  1  0  0  0  0
 21 14  2  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
  4  3  1  0  0  0  0
 20 18  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,463)
2463

>  <Formula> (2,463)
C18H15FN2O3

>  <MolWeight> (2,463)
326.3217032

>  <PCAT_CMPD_ID> (2,463)
WAY-272937

>  <CNC_ID> (2,463)
359382460

>  <transfer_container_id> (2,463)
PTN000000071

>  <COMPOUND_NUMBER> (2,463)
WAY-272937

>  <BAR_CODE_NO> (2,463)
398831

>  <LOCATION_CODE> (2,463)
PTNCS

>  <AMOUNT_CURRENT> (2,463)
32.5

$$$$
WAY-272938
csChFnd80/11182011152D

 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
   -2.3083    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.0458    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    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    2.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.2833    0.0000 O   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
    2.0042    2.4333    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
    1.2875    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    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  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  8  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  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16  3  2  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 22  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 18  1  0  0  0  0
  4  3  1  0  0  0  0
 21 19  2  0  0  0  0
 23 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,464)
2464

>  <Formula> (2,464)
C18H15FN2O3

>  <MolWeight> (2,464)
326.3217032

>  <PCAT_CMPD_ID> (2,464)
WAY-272938

>  <CNC_ID> (2,464)
359382461

>  <transfer_container_id> (2,464)
PTN000000071

>  <COMPOUND_NUMBER> (2,464)
WAY-272938

>  <BAR_CODE_NO> (2,464)
398832

>  <LOCATION_CODE> (2,464)
PTNCS

>  <AMOUNT_CURRENT> (2,464)
32.5

$$$$
WAY-320445
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.0199   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -0.6874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709   -0.3454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5771   -0.4534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1031    0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7481   -1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1909    1.3046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3301   -1.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0129    2.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5521   -1.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    0.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1361    1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7879    1.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7489    2.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431   -1.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -0.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5949    2.9036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1521   -1.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021   -1.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1369    2.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729    1.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7039    3.4016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -1.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0219   -1.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0219   -2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -2.4994    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  8  1  0  0  0  0
 11 17  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 24  1  0  0  0  0
 18  8  2  0  0  0  0
 19 10  2  0  0  0  0
 20 11  2  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25 11  1  0  0  0  0
 26 13  1  0  0  0  0
 13 27  2  0  0  0  0
 28 26  2  0  0  0  0
 29 27  1  0  0  0  0
 29 30  2  0  0  0  0
  7  4  2  0  0  0  0
 21 22  2  0  0  0  0
 30 28  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,465)
2465

>  <Formula> (2,465)
C21H21N5O4

>  <MolWeight> (2,465)
407.42254

>  <PCAT_CMPD_ID> (2,465)
WAY-320445

>  <CNC_ID> (2,465)
359384768

>  <transfer_container_id> (2,465)
PTN000000071

>  <COMPOUND_NUMBER> (2,465)
WAY-320445

>  <BAR_CODE_NO> (2,465)
295446

>  <LOCATION_CODE> (2,465)
PTNCS

>  <AMOUNT_CURRENT> (2,465)
32.5

$$$$
WAY-320455
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.3209    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209   -0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9312    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9312   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929    1.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274    0.0480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929   -1.7520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -0.6693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588   -0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209    1.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9067    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9067   -2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105   -2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588    2.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8791    2.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9067   -2.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105   -2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2412    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929   -3.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    3.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    3.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
  7 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
 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
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,466)
2466

>  <Formula> (2,466)
C20H21N3O

>  <MolWeight> (2,466)
319.40024

>  <PCAT_CMPD_ID> (2,466)
WAY-320455

>  <CNC_ID> (2,466)
359384778

>  <transfer_container_id> (2,466)
PTN000000071

>  <COMPOUND_NUMBER> (2,466)
WAY-320455

>  <BAR_CODE_NO> (2,466)
295456

>  <LOCATION_CODE> (2,466)
PTNCS

>  <AMOUNT_CURRENT> (2,466)
32.5

$$$$
WAY-320546-A
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.6167   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.0875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6167   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -0.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6167   -3.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3 13  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  3  1  0  0  0  0
  8 20  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  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  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  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  4  1  0  0  0  0
 22  6  1  0  0  0  0
 23 16  1  0  0  0  0
 24  7  1  0  0  0  0
 25 11  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  2  0  0  0  0
 28 24  2  0  0  0  0
 29 26  1  0  0  0  0
 15  5  1  0  0  0  0
 25 29  2  0  0  0  0
  6  7  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,467)
2467

>  <Formula> (2,467)
C22H27FN2O4

>  <MolWeight> (2,467)
402.4591832

>  <PCAT_CMPD_ID> (2,467)
WAY-320546

>  <CNC_ID> (2,467)
359384865

>  <transfer_container_id> (2,467)
PTN000000071

>  <COMPOUND_NUMBER> (2,467)
WAY-320546

>  <BAR_CODE_NO> (2,467)
295547

>  <LOCATION_CODE> (2,467)
PTNCS

>  <AMOUNT_CURRENT> (2,467)
32.5

$$$$
WAY-320045
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.3356    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1425    1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3356   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885    1.1815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1218    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9528    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885   -0.7013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1528   -0.7220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356    2.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183    2.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7563    1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885   -1.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1058    1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7563    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4954    2.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1058   -0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183   -2.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9265    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9265   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183   -3.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1425   -1.6358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885   -3.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885   -4.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
 11 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
 18 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
  9 13  2  0  0  0  0
 12 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,468)
2468

>  <Formula> (2,468)
C19H19N3O3

>  <MolWeight> (2,468)
337.37246

>  <PCAT_CMPD_ID> (2,468)
WAY-320045

>  <CNC_ID> (2,468)
359384371

>  <transfer_container_id> (2,468)
PTN000000071

>  <COMPOUND_NUMBER> (2,468)
WAY-320045

>  <BAR_CODE_NO> (2,468)
295046

>  <LOCATION_CODE> (2,468)
PTNCS

>  <AMOUNT_CURRENT> (2,468)
32.5

$$$$
WAY-320052
csChFnd80/11182011152D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.2141    0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238    0.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238   -0.7966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -0.7966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238    1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5141   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7376   -0.7966    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
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,469)
2469

>  <Formula> (2,469)
C7H8N2O2S

>  <MolWeight> (2,469)
184.21562

>  <PCAT_CMPD_ID> (2,469)
WAY-320052

>  <CNC_ID> (2,469)
359384377

>  <transfer_container_id> (2,469)
PTN000000071

>  <COMPOUND_NUMBER> (2,469)
WAY-320052

>  <BAR_CODE_NO> (2,469)
295053

>  <LOCATION_CODE> (2,469)
PTNCS

>  <AMOUNT_CURRENT> (2,469)
32.5

$$$$
WAY-320095
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.4958   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4500    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.9500    0.0000 C   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
   -0.4958    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.3625    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  2  1  0  0  0  0
  6  1  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  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  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  5  2  0  0  0  0
 17  6  1  0  0  0  0
 18  8  2  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24 20  2  0  0  0  0
 25 19  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
 13 11  2  0  0  0  0
 27 21  2  0  0  0  0
 25 28  2  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,470)
2470

>  <Formula> (2,470)
C24H18ClNO2

>  <MolWeight> (2,470)
387.85822

>  <PCAT_CMPD_ID> (2,470)
WAY-320095

>  <CNC_ID> (2,470)
359384416

>  <transfer_container_id> (2,470)
PTN000000071

>  <COMPOUND_NUMBER> (2,470)
WAY-320095

>  <BAR_CODE_NO> (2,470)
295096

>  <LOCATION_CODE> (2,470)
PTNCS

>  <AMOUNT_CURRENT> (2,470)
32.5

$$$$
WAY-320118
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.0899   -0.4626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8381   -0.4626    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2826    0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2826   -1.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8381   -1.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8381    0.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412    0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412   -1.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899    0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7174    0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619   -0.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    1.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0899    0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5412    0.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308   -1.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7174    1.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6688    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
  9 11  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,471)
2471

>  <Formula> (2,471)
C15H21NO4S

>  <MolWeight> (2,471)
311.39654

>  <PCAT_CMPD_ID> (2,471)
WAY-320118

>  <CNC_ID> (2,471)
359384437

>  <transfer_container_id> (2,471)
PTN000000071

>  <COMPOUND_NUMBER> (2,471)
WAY-320118

>  <BAR_CODE_NO> (2,471)
295119

>  <LOCATION_CODE> (2,471)
PTNCS

>  <AMOUNT_CURRENT> (2,471)
32.5

$$$$
WAY-320126
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.5000   -0.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2125   -0.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7833   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -3.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9 13  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13 20  1  0  0  0  0
 14 13  2  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18  1  1  0  0  0  0
 19  2  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,472)
2472

>  <Formula> (2,472)
C18H25NO5

>  <MolWeight> (2,472)
335.3948

>  <PCAT_CMPD_ID> (2,472)
WAY-320126

>  <CNC_ID> (2,472)
359384444

>  <transfer_container_id> (2,472)
PTN000000071

>  <COMPOUND_NUMBER> (2,472)
WAY-320126

>  <BAR_CODE_NO> (2,472)
295127

>  <LOCATION_CODE> (2,472)
PTNCS

>  <AMOUNT_CURRENT> (2,472)
32.5

$$$$
WAY-320151
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.0875   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -3.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0042   -4.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -3.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -2.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -4.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542   -3.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -5.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -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  5  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  2  2  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  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  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 14  2  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 21  1  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 19  2  0  0  0  0
 27 18  1  0  0  0  0
 28 26  1  0  0  0  0
 11  7  1  0  0  0  0
 10  6  1  0  0  0  0
 24 17  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,473)
2473

>  <Formula> (2,473)
C21H20N4O2S

>  <MolWeight> (2,473)
392.4741

>  <PCAT_CMPD_ID> (2,473)
WAY-320151

>  <CNC_ID> (2,473)
359384469

>  <transfer_container_id> (2,473)
PTN000000071

>  <COMPOUND_NUMBER> (2,473)
WAY-320151

>  <BAR_CODE_NO> (2,473)
295152

>  <LOCATION_CODE> (2,473)
PTNCS

>  <AMOUNT_CURRENT> (2,473)
32.5

$$$$
WAY-320223
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.4458    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.2333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1542    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.9833    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  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  1  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 11  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  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
  5  2  1  0  0  0  0
  9  7  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,474)
2474

>  <Formula> (2,474)
C18H26N2O2

>  <MolWeight> (2,474)
302.41124

>  <PCAT_CMPD_ID> (2,474)
WAY-320223

>  <CNC_ID> (2,474)
359385061

>  <transfer_container_id> (2,474)
PTN000000071

>  <COMPOUND_NUMBER> (2,474)
WAY-320223

>  <BAR_CODE_NO> (2,474)
295224

>  <LOCATION_CODE> (2,474)
PTNCS

>  <AMOUNT_CURRENT> (2,474)
32.5

$$$$
WAY-320233-A
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.2302   -0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268   -0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302   -1.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0544   -0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2422   -1.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0130    0.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268   -2.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0544   -2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8751   -0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077   -1.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6647    1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8751   -1.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7268   -0.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -2.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -0.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3509    2.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5992    0.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7578    0.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   -2.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560    2.1468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353   -3.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939    3.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422    1.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8284    3.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    2.4744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3905    2.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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
 11 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
 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
 26 27  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,475)
2475

>  <Formula> (2,475)
C19H25N3O5

>  <MolWeight> (2,475)
375.4189

>  <PCAT_CMPD_ID> (2,475)
WAY-320233

>  <CNC_ID> (2,475)
359385486

>  <transfer_container_id> (2,475)
PTN000000071

>  <COMPOUND_NUMBER> (2,475)
WAY-320233

>  <BAR_CODE_NO> (2,475)
295234

>  <LOCATION_CODE> (2,475)
PTNCS

>  <AMOUNT_CURRENT> (2,475)
32.5

$$$$
WAY-320236
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.7080   -0.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3390   -0.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7080   -1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3942   -0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3390   -1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -0.4749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0252   -2.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3942   -2.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0804   -0.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -2.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299    0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0804   -1.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0920   -1.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -2.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334    0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459    0.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0541   -0.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2679    1.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0713   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713    2.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0127    1.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058    2.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0472    2.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265    3.2699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    4.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  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  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
 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
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,476)
2476

>  <Formula> (2,476)
C18H23N3O4

>  <MolWeight> (2,476)
345.39292

>  <PCAT_CMPD_ID> (2,476)
WAY-320236

>  <CNC_ID> (2,476)
359384563

>  <transfer_container_id> (2,476)
PTN000000071

>  <COMPOUND_NUMBER> (2,476)
WAY-320236

>  <BAR_CODE_NO> (2,476)
295237

>  <LOCATION_CODE> (2,476)
PTNCS

>  <AMOUNT_CURRENT> (2,476)
32.5

$$$$
WAY-320242
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.8792   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -1.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9625    0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.4542    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
    3.9000    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    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  5  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  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  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  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
  6  3  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,477)
2477

>  <Formula> (2,477)
C14H16N4O2S

>  <MolWeight> (2,477)
304.36744

>  <PCAT_CMPD_ID> (2,477)
WAY-320242

>  <CNC_ID> (2,477)
359384569

>  <transfer_container_id> (2,477)
PTN000000071

>  <COMPOUND_NUMBER> (2,477)
WAY-320242

>  <BAR_CODE_NO> (2,477)
295243

>  <LOCATION_CODE> (2,477)
PTNCS

>  <AMOUNT_CURRENT> (2,477)
32.5

$$$$
WAY-320267
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.5500    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9833   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    2.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -1.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    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  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  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 17  1  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 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
  3  5  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,478)
2478

>  <Formula> (2,478)
C14H16N2O4S

>  <MolWeight> (2,478)
308.35284

>  <PCAT_CMPD_ID> (2,478)
WAY-320267

>  <CNC_ID> (2,478)
359384594

>  <transfer_container_id> (2,478)
PTN000000071

>  <COMPOUND_NUMBER> (2,478)
WAY-320267

>  <BAR_CODE_NO> (2,478)
295268

>  <LOCATION_CODE> (2,478)
PTNCS

>  <AMOUNT_CURRENT> (2,478)
32.5

$$$$
WAY-320304
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.3381    1.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140    0.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0830    1.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929    0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8071    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1830   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450    2.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7067    2.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0032    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243    2.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243   -0.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864    2.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619    1.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5653   -0.0003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6968    2.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2830    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5726   -1.3555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3170   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3657    1.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1239   -1.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3174   -1.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8446   -1.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032   -0.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6032   -2.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -2.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826   -1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9412   -2.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5032   -3.1796    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  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
  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
 11 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
 19 22  1  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
 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
 30 31  1  0  0  0  0
  9 15  2  0  0  0  0
 10 14  1  0  0  0  0
 18 21  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,479)
2479

>  <Formula> (2,479)
C25H26N4O2

>  <MolWeight> (2,479)
414.49954

>  <PCAT_CMPD_ID> (2,479)
WAY-320304

>  <CNC_ID> (2,479)
359384630

>  <transfer_container_id> (2,479)
PTN000000071

>  <COMPOUND_NUMBER> (2,479)
WAY-320304

>  <BAR_CODE_NO> (2,479)
295305

>  <LOCATION_CODE> (2,479)
PTNCS

>  <AMOUNT_CURRENT> (2,479)
32.5

$$$$
WAY-320345
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.1000    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -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  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  8  1  0  0  0  0
 11  3  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 10  2  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 18  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 11  2  0  0  0  0
 25 11  1  0  0  0  0
 26 19  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
  7  4  2  0  0  0  0
 29 28  2  0  0  0  0
 14 22  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,480)
2480

>  <Formula> (2,480)
C22H22N4O3

>  <MolWeight> (2,480)
390.43508

>  <PCAT_CMPD_ID> (2,480)
WAY-320345

>  <CNC_ID> (2,480)
359384671

>  <transfer_container_id> (2,480)
PTN000000071

>  <COMPOUND_NUMBER> (2,480)
WAY-320345

>  <BAR_CODE_NO> (2,480)
295346

>  <LOCATION_CODE> (2,480)
PTNCS

>  <AMOUNT_CURRENT> (2,480)
32.5

$$$$
WAY-320561
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    3.7375   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0875   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667    0.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -0.0292    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
    0.8875   -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  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 23  1  0  0  0  0
 21  5  1  0  0  0  0
 22 24  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  6  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 21  2  0  0  0  0
 30 26  2  0  0  0  0
 22 25  2  0  0  0  0
  6  5  2  0  0  0  0
 30 29  1  0  0  0  0
 12  9  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,481)
2481

>  <Formula> (2,481)
C24H18N2O4

>  <MolWeight> (2,481)
398.41072

>  <PCAT_CMPD_ID> (2,481)
WAY-320561

>  <CNC_ID> (2,481)
359384880

>  <transfer_container_id> (2,481)
PTN000000071

>  <COMPOUND_NUMBER> (2,481)
WAY-320561

>  <BAR_CODE_NO> (2,481)
295562

>  <LOCATION_CODE> (2,481)
PTNCS

>  <AMOUNT_CURRENT> (2,481)
32.5

$$$$
WAY-320569
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2708   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.4958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0167    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  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  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  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 15  1  0  0  0  0
 18 15  2  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  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
  6  5  1  0  0  0  0
 26 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,482)
2482

>  <Formula> (2,482)
C19H17N3O3S

>  <MolWeight> (2,482)
367.42158

>  <PCAT_CMPD_ID> (2,482)
WAY-320569

>  <CNC_ID> (2,482)
359384888

>  <transfer_container_id> (2,482)
PTN000000071

>  <COMPOUND_NUMBER> (2,482)
WAY-320569

>  <BAR_CODE_NO> (2,482)
295570

>  <LOCATION_CODE> (2,482)
PTNCS

>  <AMOUNT_CURRENT> (2,482)
32.5

$$$$
WAY-320605
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.4792   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    1.6208    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  3  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 10  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  1  1  0  0  0  0
 13 12  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  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20  8  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 22  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 19  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
  2  6  2  0  0  0  0
 19 25  2  0  0  0  0
  9  8  1  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,483)
2483

>  <Formula> (2,483)
C23H21ClN4O3

>  <MolWeight> (2,483)
436.89084

>  <PCAT_CMPD_ID> (2,483)
WAY-320605

>  <CNC_ID> (2,483)
359384924

>  <transfer_container_id> (2,483)
PTN000000071

>  <COMPOUND_NUMBER> (2,483)
WAY-320605

>  <BAR_CODE_NO> (2,483)
295606

>  <LOCATION_CODE> (2,483)
PTNCS

>  <AMOUNT_CURRENT> (2,483)
32.5

$$$$
WAY-320612
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0167   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.6667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167   -0.7167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833   -1.6792    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  1  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  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  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 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
  3  4  2  0  0  0  0
  8  6  1  0  0  0  0
 14 13  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,484)
2484

>  <Formula> (2,484)
C15H12N2OS2

>  <MolWeight> (2,484)
300.39858

>  <PCAT_CMPD_ID> (2,484)
WAY-320612

>  <CNC_ID> (2,484)
359384931

>  <transfer_container_id> (2,484)
PTN000000071

>  <COMPOUND_NUMBER> (2,484)
WAY-320612

>  <BAR_CODE_NO> (2,484)
295613

>  <LOCATION_CODE> (2,484)
PTNCS

>  <AMOUNT_CURRENT> (2,484)
32.5

$$$$
WAY-320615
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.4157   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    0.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911   -0.9778    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847   -1.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567    0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2877   -0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502    0.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    2.1774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325    1.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3911   -0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4261   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3571    0.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9532   -1.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9015    0.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0571   -0.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0808   -0.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6325   -1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
  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  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
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,485)
2485

>  <Formula> (2,485)
C13H14N2O3S

>  <MolWeight> (2,485)
278.32686

>  <PCAT_CMPD_ID> (2,485)
WAY-320615

>  <CNC_ID> (2,485)
359384934

>  <transfer_container_id> (2,485)
PTN000000071

>  <COMPOUND_NUMBER> (2,485)
WAY-320615

>  <BAR_CODE_NO> (2,485)
295616

>  <LOCATION_CODE> (2,485)
PTNCS

>  <AMOUNT_CURRENT> (2,485)
32.5

$$$$
WAY-320617
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
    0.5542   -1.2292    0.0000 N   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
    0.5542   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.2542    0.0000 N   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
    1.1500   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -2.7792    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  2  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 12  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14 17  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  2  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21 15  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  2  0  0  0  0
 24 11  2  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 28 19  1  0  0  0  0
 29 20  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
 32 29  1  0  0  0  0
  5  6  1  0  0  0  0
 21 26  2  0  0  0  0
  9 11  1  0  0  0  0
 32 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,486)
2486

>  <Formula> (2,486)
C26H27N3O2S

>  <MolWeight> (2,486)
445.57648

>  <PCAT_CMPD_ID> (2,486)
WAY-320617

>  <CNC_ID> (2,486)
359384936

>  <transfer_container_id> (2,486)
PTN000000071

>  <COMPOUND_NUMBER> (2,486)
WAY-320617

>  <BAR_CODE_NO> (2,486)
295618

>  <LOCATION_CODE> (2,486)
PTNCS

>  <AMOUNT_CURRENT> (2,486)
32.5

$$$$
WAY-320628
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -0.2125    2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.3708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4208    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    3.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    3.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    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  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7 11  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  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16  5  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  2  0  0  0  0
 19 10  2  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 16  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 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 22  1  0  0  0  0
 30 29  2  0  0  0  0
  8 12  1  0  0  0  0
 28 30  1  0  0  0  0
  9  5  1  0  0  0  0
 24 27  2  0  0  0  0
 26 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,487)
2487

>  <Formula> (2,487)
C25H21N3O2

>  <MolWeight> (2,487)
395.45314

>  <PCAT_CMPD_ID> (2,487)
WAY-320628

>  <CNC_ID> (2,487)
359384947

>  <transfer_container_id> (2,487)
PTN000000071

>  <COMPOUND_NUMBER> (2,487)
WAY-320628

>  <BAR_CODE_NO> (2,487)
295629

>  <LOCATION_CODE> (2,487)
PTNCS

>  <AMOUNT_CURRENT> (2,487)
32.5

$$$$
WAY-320648
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.0208    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.6125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4625   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.1625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    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  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 13  1  0  0  0  0
  8  5  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  1  1  0  0  0  0
 13 15  1  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  8  1  0  0  0  0
 18  4  1  0  0  0  0
 19  2  1  0  0  0  0
 20  2  1  0  0  0  0
 21  3  1  0  0  0  0
 22  6  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  2  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
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
  4 11  1  0  0  0  0
 26 22  2  0  0  0  0
 10  8  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,488)
2488

>  <Formula> (2,488)
C22H24N4OS2

>  <MolWeight> (2,488)
424.58216

>  <PCAT_CMPD_ID> (2,488)
WAY-320648

>  <CNC_ID> (2,488)
359384966

>  <transfer_container_id> (2,488)
PTN000000071

>  <COMPOUND_NUMBER> (2,488)
WAY-320648

>  <BAR_CODE_NO> (2,488)
295649

>  <LOCATION_CODE> (2,488)
PTNCS

>  <AMOUNT_CURRENT> (2,488)
32.5

$$$$
WAY-320656
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.8140    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140    0.2959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0347    1.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4864   -0.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5347    1.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    1.7579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9140    1.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3761   -0.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653   -0.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5968    0.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481    0.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9722   -1.2248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998   -0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6377   -2.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998    0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998   -1.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239   -0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 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
 18 20  2  0  0  0  0
  6  7  2  0  0  0  0
  9 11  1  0  0  0  0
 14 15  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,489)
2489

>  <Formula> (2,489)
C16H14N4

>  <MolWeight> (2,489)
262.30916

>  <PCAT_CMPD_ID> (2,489)
WAY-320656

>  <CNC_ID> (2,489)
359384974

>  <transfer_container_id> (2,489)
PTN000000071

>  <COMPOUND_NUMBER> (2,489)
WAY-320656

>  <BAR_CODE_NO> (2,489)
295657

>  <LOCATION_CODE> (2,489)
PTNCS

>  <AMOUNT_CURRENT> (2,489)
32.5

$$$$
WAY-320688
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.2342   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5031   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687    0.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204   -1.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796   -1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934   -0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3273   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790    0.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7204    0.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2687   -2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    0.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175   -0.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3342    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9037    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1342    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9037    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6175    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6175    1.8034    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  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
  8 15  1  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
 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
  5  7  1  0  0  0  0
 10 15  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,490)
2490

>  <Formula> (2,490)
C19H26N2O3

>  <MolWeight> (2,490)
330.42134

>  <PCAT_CMPD_ID> (2,490)
WAY-320688

>  <CNC_ID> (2,490)
359385006

>  <transfer_container_id> (2,490)
PTN000000071

>  <COMPOUND_NUMBER> (2,490)
WAY-320688

>  <BAR_CODE_NO> (2,490)
295689

>  <LOCATION_CODE> (2,490)
PTNCS

>  <AMOUNT_CURRENT> (2,490)
32.5

$$$$
WAY-326476
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.7292   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -4.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -7.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -8.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -7.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500  -10.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.9667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250   -3.7792    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  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  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  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 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  4  1  0  0  0  0
 24  8  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
  5  7  1  0  0  0  0
 24 26  2  0  0  0  0
 15  9  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,491)
2491

>  <Formula> (2,491)
C19H17FN4O2

>  <MolWeight> (2,491)
352.3622832

>  <PCAT_CMPD_ID> (2,491)
WAY-326476

>  <CNC_ID> (2,491)
359385021

>  <transfer_container_id> (2,491)
PTN000000071

>  <COMPOUND_NUMBER> (2,491)
WAY-326476

>  <BAR_CODE_NO> (2,491)
90470309

>  <LOCATION_CODE> (2,491)
PTNCS

>  <AMOUNT_CURRENT> (2,491)
32.1

$$$$
WAY-358998
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.6500    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -0.8000    0.0000 N   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
    5.0500   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.6083    0.0000 Cl  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
    5.1500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0750    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3417    2.2833    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  2  0  0  0  0
 18 14  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 10  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 20  1  0  0  0  0
 25  8  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
 10  9  1  0  0  0  0
 22 20  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,492)
2492

>  <Formula> (2,492)
C23H18ClN5O

>  <MolWeight> (2,492)
415.87492

>  <PCAT_CMPD_ID> (2,492)
WAY-358998

>  <CNC_ID> (2,492)
359385060

>  <transfer_container_id> (2,492)
PTN000000071

>  <COMPOUND_NUMBER> (2,492)
WAY-358998

>  <BAR_CODE_NO> (2,492)
90436264

>  <LOCATION_CODE> (2,492)
PTNCS

>  <AMOUNT_CURRENT> (2,492)
32.3

$$$$
WAY-601871
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.7337   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8594    0.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5337   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337   -1.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3767   -0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9491    2.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5337   -1.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1130    0.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1233   -2.5928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663   -2.2928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767    0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663    3.1762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767    2.1865    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  1  0  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
  7  9  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,493)
2493

>  <Formula> (2,493)
C8H6N2OS2

>  <MolWeight> (2,493)
210.27604

>  <PCAT_CMPD_ID> (2,493)
WAY-601871

>  <CNC_ID> (2,493)
359387819

>  <transfer_container_id> (2,493)
PTN000000071

>  <COMPOUND_NUMBER> (2,493)
WAY-601871

>  <BAR_CODE_NO> (2,493)
90435345

>  <LOCATION_CODE> (2,493)
PTNCS

>  <AMOUNT_CURRENT> (2,493)
32.8

$$$$
WAY-601880
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.9792   -0.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -3.4417    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -3.8542    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1250   -3.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.2708    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
   -1.1583    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -0.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    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  6  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 16  1  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  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  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  7  2  0  0  0  0
 18 19  2  0  0  0  0
 19 10  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 11  1  0  0  0  0
 23 10  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  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
 16 20  1  0  0  0  0
 18  6  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,494)
2494

>  <Formula> (2,494)
C19H20ClN3O5S

>  <MolWeight> (2,494)
437.8972

>  <PCAT_CMPD_ID> (2,494)
WAY-601880

>  <CNC_ID> (2,494)
359387828

>  <transfer_container_id> (2,494)
PTN000000071

>  <COMPOUND_NUMBER> (2,494)
WAY-601880

>  <BAR_CODE_NO> (2,494)
90435354

>  <LOCATION_CODE> (2,494)
PTNCS

>  <AMOUNT_CURRENT> (2,494)
32.2

$$$$
WAY-601882
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.5750    1.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.9333    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    3.5208    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8542    4.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -3.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1417    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.2833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -3.4917    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
    1.5667   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -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  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  5  2  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  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14 22  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18  6  2  0  0  0  0
 19 20  2  0  0  0  0
 20 11  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 15  1  0  0  0  0
 24 11  1  0  0  0  0
 25 15  1  0  0  0  0
 26 23  1  0  0  0  0
 27 23  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 14  1  0  0  0  0
 19  7  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,495)
2495

>  <Formula> (2,495)
C20H22ClN3O5S

>  <MolWeight> (2,495)
451.92378

>  <PCAT_CMPD_ID> (2,495)
WAY-601882

>  <CNC_ID> (2,495)
359387830

>  <transfer_container_id> (2,495)
PTN000000071

>  <COMPOUND_NUMBER> (2,495)
WAY-601882

>  <BAR_CODE_NO> (2,495)
90435356

>  <LOCATION_CODE> (2,495)
PTNCS

>  <AMOUNT_CURRENT> (2,495)
32.9

$$$$
WAY-601932
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.0708    2.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    2.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.5750    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
    1.3542   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -4.7875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.9625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.9625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.5750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3 15  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  3  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16  1  2  0  0  0  0
 17  1  2  0  0  0  0
 18 25  1  0  0  0  0
 19  8  2  0  0  0  0
 20  7  1  0  0  0  0
 21 13  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 20  2  0  0  0  0
 26 30  1  0  0  0  0
 27  6  1  0  0  0  0
 28  6  1  0  0  0  0
 29 18  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  1  0  0  0  0
 26 31  1  0  0  0  0
 18 10  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
>  <Mol_ID> (2,496)
2496

>  <Formula> (2,496)
C18H17ClF3N3O5S

>  <MolWeight> (2,496)
479.8578896

>  <PCAT_CMPD_ID> (2,496)
WAY-601932

>  <CNC_ID> (2,496)
359387880

>  <transfer_container_id> (2,496)
PTN000000071

>  <COMPOUND_NUMBER> (2,496)
WAY-601932

>  <BAR_CODE_NO> (2,496)
90435406

>  <LOCATION_CODE> (2,496)
PTNCS

>  <AMOUNT_CURRENT> (2,496)
32.2

$$$$
WAY-602472
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.5000   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -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  5  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  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  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  2  0  0  0  0
 14  9  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 15  1  0  0  0  0
 19  1  1  0  0  0  0
 20  1  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 21 22  1  0  0  0  0
 17 15  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,497)
2497

>  <Formula> (2,497)
C17H20FNO3

>  <MolWeight> (2,497)
305.3440032

>  <PCAT_CMPD_ID> (2,497)
WAY-602472

>  <CNC_ID> (2,497)
359388420

>  <transfer_container_id> (2,497)
PTN000000071

>  <COMPOUND_NUMBER> (2,497)
WAY-602472

>  <BAR_CODE_NO> (2,497)
90435983

>  <LOCATION_CODE> (2,497)
PTNCS

>  <AMOUNT_CURRENT> (2,497)
32.1

$$$$
WAY-602528
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.9875   -1.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -1.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    2.3375    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
    0.8792    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -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  2  2  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  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  0  0  0  0
 11  4  2  0  0  0  0
 12  3  1  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  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  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 15  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 23  1  0  0  0  0
 27 24  1  0  0  0  0
 13 14  2  0  0  0  0
 27 25  2  0  0  0  0
 19 15  2  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,498)
2498

>  <Formula> (2,498)
C21H16N2O2S2

>  <MolWeight> (2,498)
392.49394

>  <PCAT_CMPD_ID> (2,498)
WAY-602528

>  <CNC_ID> (2,498)
359388474

>  <transfer_container_id> (2,498)
PTN000000071

>  <COMPOUND_NUMBER> (2,498)
WAY-602528

>  <BAR_CODE_NO> (2,498)
90436040

>  <LOCATION_CODE> (2,498)
PTNCS

>  <AMOUNT_CURRENT> (2,498)
32.3

$$$$
WAY-602544
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.9750    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6917    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -4.1292    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  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  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  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  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17  2  1  0  0  0  0
 18  6  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 16  2  0  0  0  0
 23 17  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 22  1  0  0  0  0
 28 21  2  0  0  0  0
 29 23  1  0  0  0  0
 30 27  2  0  0  0  0
  6  4  2  0  0  0  0
 29 24  1  0  0  0  0
 14 10  1  0  0  0  0
 26 20  2  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,499)
2499

>  <Formula> (2,499)
C24H25N5O

>  <MolWeight> (2,499)
399.4882

>  <PCAT_CMPD_ID> (2,499)
WAY-602544

>  <CNC_ID> (2,499)
359388490

>  <transfer_container_id> (2,499)
PTN000000071

>  <COMPOUND_NUMBER> (2,499)
WAY-602544

>  <BAR_CODE_NO> (2,499)
90436056

>  <LOCATION_CODE> (2,499)
PTNCS

>  <AMOUNT_CURRENT> (2,499)
32.3

$$$$
WAY-602002
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.7667   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.7208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5625   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.9708    0.0000 C   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
  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  2  1  0  0  0  0
  7  3  2  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 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
  4  6  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,500)
2500

>  <Formula> (2,500)
C13H21NO2

>  <MolWeight> (2,500)
223.31134

>  <PCAT_CMPD_ID> (2,500)
WAY-602002

>  <CNC_ID> (2,500)
359387950

>  <transfer_container_id> (2,500)
PTN000000071

>  <COMPOUND_NUMBER> (2,500)
WAY-602002

>  <BAR_CODE_NO> (2,500)
90435479

>  <LOCATION_CODE> (2,500)
PTNCS

>  <AMOUNT_CURRENT> (2,500)
32.7

$$$$
WAY-602141
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.7042    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
    2.7125    0.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4333    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.5292    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  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 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  2  0  0  0  0
 12 19  1  0  0  0  0
 13  4  1  0  0  0  0
 14 22  1  0  0  0  0
 15  9  1  0  0  0  0
 16  2  2  0  0  0  0
 17  4  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  2  0  0  0  0
 22 20  2  0  0  0  0
 23  1  1  0  0  0  0
 24  5  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 27  1  0  0  0  0
 28 24  2  0  0  0  0
  8  7  1  0  0  0  0
 14  9  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,501)
2501

>  <Formula> (2,501)
C21H19NO6

>  <MolWeight> (2,501)
381.37866

>  <PCAT_CMPD_ID> (2,501)
WAY-602141

>  <CNC_ID> (2,501)
359388089

>  <transfer_container_id> (2,501)
PTN000000071

>  <COMPOUND_NUMBER> (2,501)
WAY-602141

>  <BAR_CODE_NO> (2,501)
90435624

>  <LOCATION_CODE> (2,501)
PTNCS

>  <AMOUNT_CURRENT> (2,501)
32.4

$$$$
WAY-602204
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.3042   -1.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    4.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    3.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.2500    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
   -1.7125    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -2.0625    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  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7 11  2  0  0  0  0
  8 22  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 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  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 24  1  0  0  0  0
 19  6  1  0  0  0  0
 20  2  1  0  0  0  0
 21  2  1  0  0  0  0
 22 23  1  0  0  0  0
 23 26  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 12  1  0  0  0  0
 18 25  1  0  0  0  0
 12  4  2  0  0  0  0
  7 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,502)
2502

>  <Formula> (2,502)
C18H24N4O4S

>  <MolWeight> (2,502)
392.47256

>  <PCAT_CMPD_ID> (2,502)
WAY-602204

>  <CNC_ID> (2,502)
359388152

>  <transfer_container_id> (2,502)
PTN000000071

>  <COMPOUND_NUMBER> (2,502)
WAY-602204

>  <BAR_CODE_NO> (2,502)
90435689

>  <LOCATION_CODE> (2,502)
PTNCS

>  <AMOUNT_CURRENT> (2,502)
32.7

$$$$
WAY-602296
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.6750    0.0708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6750    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.0792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.6875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.1333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.0708    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
    2.9000   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.9292    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
   -2.3583   -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  6  2  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  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  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 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
  4  5  1  0  0  0  0
 24 23  1  0  0  0  0
  9 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,503)
2503

>  <Formula> (2,503)
C17H14F3NO3

>  <MolWeight> (2,503)
337.2931696

>  <PCAT_CMPD_ID> (2,503)
WAY-602296

>  <CNC_ID> (2,503)
359388244

>  <transfer_container_id> (2,503)
PTN000000071

>  <COMPOUND_NUMBER> (2,503)
WAY-602296

>  <BAR_CODE_NO> (2,503)
90435783

>  <LOCATION_CODE> (2,503)
PTNCS

>  <AMOUNT_CURRENT> (2,503)
32.1

$$$$
WAY-602309
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.3333   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.3417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    0.7583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9042    1.4708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7292    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.7583    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  5  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  9  1  0  0  0  0
 12  8  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 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
  6  7  2  0  0  0  0
 16 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,504)
2504

>  <Formula> (2,504)
C15H21NOS

>  <MolWeight> (2,504)
263.39834

>  <PCAT_CMPD_ID> (2,504)
WAY-602309

>  <CNC_ID> (2,504)
359388257

>  <transfer_container_id> (2,504)
PTN000000071

>  <COMPOUND_NUMBER> (2,504)
WAY-602309

>  <BAR_CODE_NO> (2,504)
90435797

>  <LOCATION_CODE> (2,504)
PTNCS

>  <AMOUNT_CURRENT> (2,504)
32.3

$$$$
WAY-602342-A
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.7042    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.1208    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
    3.0500   -1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -0.8917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4917    2.9833    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
    4.1125   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -3.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    4.0167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -0.2042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -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  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  3  1  0  0  0  0
  8 10  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  2  0  0  0  0
 13 24  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  4  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  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
  4  9  2  0  0  0  0
 19 17  1  0  0  0  0
 23 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,505)
2505

>  <Formula> (2,505)
C17H18BrFN2O3

>  <MolWeight> (2,505)
397.2388232

>  <PCAT_CMPD_ID> (2,505)
WAY-602342

>  <CNC_ID> (2,505)
359388290

>  <transfer_container_id> (2,505)
PTN000000071

>  <COMPOUND_NUMBER> (2,505)
WAY-602342

>  <BAR_CODE_NO> (2,505)
90435831

>  <LOCATION_CODE> (2,505)
PTNCS

>  <AMOUNT_CURRENT> (2,505)
32.4

$$$$
WAY-602450
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.2833   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0708   -1.2917    0.0000 C   0  0  3  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
   -0.2833   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.0542    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
   -2.4958   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    3.8833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -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  3  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  1  0  0  0  0
  9  4  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  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 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 22  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 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 10  1  0  0  0  0
 25 17  1  0  0  0  0
  6  4  1  0  0  0  0
 17 13  2  0  0  0  0
 10  9  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,506)
2506

>  <Formula> (2,506)
C20H22ClN3O

>  <MolWeight> (2,506)
355.86118

>  <PCAT_CMPD_ID> (2,506)
WAY-602450

>  <CNC_ID> (2,506)
359388398

>  <transfer_container_id> (2,506)
PTN000000071

>  <COMPOUND_NUMBER> (2,506)
WAY-602450

>  <BAR_CODE_NO> (2,506)
90435958

>  <LOCATION_CODE> (2,506)
PTNCS

>  <AMOUNT_CURRENT> (2,506)
32.9

$$$$
WAY-602606
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.3458    1.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -1.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    1.1750    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  3  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  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  2  0  0  0  0
 17  5  2  0  0  0  0
 18 11  2  0  0  0  0
 19 25  1  0  0  0  0
 20  2  1  0  0  0  0
 21  2  1  0  0  0  0
 22 11  1  0  0  0  0
 23  4  2  0  0  0  0
 24  6  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 27  2  0  0  0  0
 19 26  1  0  0  0  0
 28 16  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,507)
2507

>  <Formula> (2,507)
C18H20N2O6S2

>  <MolWeight> (2,507)
424.4912

>  <PCAT_CMPD_ID> (2,507)
WAY-602606

>  <CNC_ID> (2,507)
359388726

>  <transfer_container_id> (2,507)
PTN000000071

>  <COMPOUND_NUMBER> (2,507)
WAY-602606

>  <BAR_CODE_NO> (2,507)
90436119

>  <LOCATION_CODE> (2,507)
PTNCS

>  <AMOUNT_CURRENT> (2,507)
32.7

$$$$
WAY-602652
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.4500    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -3.0292    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
   -0.2625   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -3.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    3.3708    0.0000 C   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
    1.8792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    3.9583    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  7  1  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  3  1  0  0  0  0
  9 12  1  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  2  0  0  0  0
 13  1  1  0  0  0  0
 14  2  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  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 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  2  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
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
  5  4  1  0  0  0  0
  9  6  1  0  0  0  0
 29 28  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,508)
2508

>  <Formula> (2,508)
C22H20N4O3

>  <MolWeight> (2,508)
388.4192

>  <PCAT_CMPD_ID> (2,508)
WAY-602652

>  <CNC_ID> (2,508)
359388601

>  <transfer_container_id> (2,508)
PTN000000071

>  <COMPOUND_NUMBER> (2,508)
WAY-602652

>  <BAR_CODE_NO> (2,508)
90436166

>  <LOCATION_CODE> (2,508)
PTNCS

>  <AMOUNT_CURRENT> (2,508)
32.4

$$$$
WAY-602712-A
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.6375   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -4.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -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  3  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  6  2  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  5  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 20 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 14  1  0  0  0  0
 24 19  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 26  2  0  0  0  0
  4  5  1  0  0  0  0
 16 11  1  0  0  0  0
 14 18  1  0  0  0  0
 20 25  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,509)
2509

>  <Formula> (2,509)
C23H19N3O2

>  <MolWeight> (2,509)
369.41586

>  <PCAT_CMPD_ID> (2,509)
WAY-602712

>  <CNC_ID> (2,509)
359388661

>  <transfer_container_id> (2,509)
PTN000000071

>  <COMPOUND_NUMBER> (2,509)
WAY-602712

>  <BAR_CODE_NO> (2,509)
90436226

>  <LOCATION_CODE> (2,509)
PTNCS

>  <AMOUNT_CURRENT> (2,509)
32.2

$$$$
WAY-602744
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
    0.8667    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4250    4.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4333   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -4.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -5.7542    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 13  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  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 17  1  0  0  0  0
 12  8  2  0  0  0  0
 13 25  1  0  0  0  0
 14 23  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 20  2  0  0  0  0
 18  4  2  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  2  0  0  0  0
 23 26  2  0  0  0  0
 24  2  1  0  0  0  0
 25 27  2  0  0  0  0
 26 20  1  0  0  0  0
 27 22  1  0  0  0  0
 28 21  2  0  0  0  0
 29 11  1  0  0  0  0
 30 14  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 19 10  1  0  0  0  0
  2 16  1  0  0  0  0
 15  2  1  0  0  0  0
 28 25  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,510)
2510

>  <Formula> (2,510)
C27H31NO4

>  <MolWeight> (2,510)
433.53934

>  <PCAT_CMPD_ID> (2,510)
WAY-602744

>  <CNC_ID> (2,510)
359388693

>  <transfer_container_id> (2,510)
PTN000000071

>  <COMPOUND_NUMBER> (2,510)
WAY-602744

>  <BAR_CODE_NO> (2,510)
90436259

>  <LOCATION_CODE> (2,510)
PTNCS

>  <AMOUNT_CURRENT> (2,510)
32.9

$$$$
WAY-602798
csChFnd80/11182011152D

 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
   -1.1958    1.1625    0.0000 Cl  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
   -1.9083   -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
   -0.4833   -3.3750    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
    2.3792    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  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  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 10  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
 21 20  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,511)
2511

>  <Formula> (2,511)
C15H17Cl2FN2O

>  <MolWeight> (2,511)
331.2126832

>  <PCAT_CMPD_ID> (2,511)
WAY-602798

>  <CNC_ID> (2,511)
359388747

>  <transfer_container_id> (2,511)
PTN000000071

>  <COMPOUND_NUMBER> (2,511)
WAY-602798

>  <BAR_CODE_NO> (2,511)
90436314

>  <LOCATION_CODE> (2,511)
PTNCS

>  <AMOUNT_CURRENT> (2,511)
32.2

$$$$
WAY-602832
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.0333    0.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0333   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -1.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -2.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -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  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  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  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  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18  4  2  0  0  0  0
 19 13  2  0  0  0  0
 20 13  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
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
 23 21  2  0  0  0  0
 17  7  1  0  0  0  0
 24 28  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,512)
2512

>  <Formula> (2,512)
C19H19N5O3S

>  <MolWeight> (2,512)
397.45086

>  <PCAT_CMPD_ID> (2,512)
WAY-602832

>  <CNC_ID> (2,512)
359388781

>  <transfer_container_id> (2,512)
PTN000000071

>  <COMPOUND_NUMBER> (2,512)
WAY-602832

>  <BAR_CODE_NO> (2,512)
90436356

>  <LOCATION_CODE> (2,512)
PTNCS

>  <AMOUNT_CURRENT> (2,512)
32.4

$$$$
WAY-602843-A
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    7.6375   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7980   -2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790   -2.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2566   -3.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109   -2.6124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0727   -3.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2164   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5510   -0.2695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7044   -3.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9577   -4.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990   -3.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3327   -2.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -5.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3468   -4.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4055   -5.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0479   -5.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8667    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0417    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5125    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    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  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  3  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 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  3  0  0  0  0
 15  2  1  0  0  0  0
 16  9  1  0  0  0  0
 17 28  1  0  0  0  0
 18 16  1  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 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 12  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 15  1  0  0  0  0
 30 15  2  0  0  0  0
 31 30  1  0  0  0  0
 32 29  2  0  0  0  0
 33 32  1  0  0  0  0
  5  8  2  0  0  0  0
  9 11  2  0  0  0  0
 31 33  2  0  0  0  0
 27 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,513)
2513

>  <Formula> (2,513)
C24H21FN6OS

>  <MolWeight> (2,513)
460.5265432

>  <PCAT_CMPD_ID> (2,513)
WAY-602843

>  <CNC_ID> (2,513)
359388792

>  <transfer_container_id> (2,513)
PTN000000071

>  <COMPOUND_NUMBER> (2,513)
WAY-602843

>  <BAR_CODE_NO> (2,513)
90436367

>  <LOCATION_CODE> (2,513)
PTNCS

>  <AMOUNT_CURRENT> (2,513)
32.7

$$$$
WAY-602879
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.5542   -1.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2750    1.7958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9958    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.4000    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
   -0.8083   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -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  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  4  1  0  0  0  0
  8  7  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  1  1  0  0  0  0
 13  3  2  0  0  0  0
 14  2  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  8  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 23 17  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
 27 26  1  0  0  0  0
 22 15  1  0  0  0  0
  8  9  1  0  0  0  0
 24 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,514)
2514

>  <Formula> (2,514)
C21H24N2O3S

>  <MolWeight> (2,514)
384.49186

>  <PCAT_CMPD_ID> (2,514)
WAY-602879

>  <CNC_ID> (2,514)
359388828

>  <transfer_container_id> (2,514)
PTN000000071

>  <COMPOUND_NUMBER> (2,514)
WAY-602879

>  <BAR_CODE_NO> (2,514)
90436405

>  <LOCATION_CODE> (2,514)
PTNCS

>  <AMOUNT_CURRENT> (2,514)
32.9

$$$$
WAY-602938
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.4958   -0.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -2.5167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    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  2  2  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 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  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 11 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,515)
2515

>  <Formula> (2,515)
C10H11FN2O2S

>  <MolWeight> (2,515)
242.2699432

>  <PCAT_CMPD_ID> (2,515)
WAY-602938

>  <CNC_ID> (2,515)
359388886

>  <transfer_container_id> (2,515)
PTN000000076

>  <COMPOUND_NUMBER> (2,515)
WAY-602938

>  <BAR_CODE_NO> (2,515)
90611112

>  <LOCATION_CODE> (2,515)
PTNCS

>  <AMOUNT_CURRENT> (2,515)
33

$$$$
WAY-602988
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.6458    1.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.3083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2208    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -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  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 14  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  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 11  1  0  0  0  0
 16  2  1  0  0  0  0
 17  3  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 18  1  0  0  0  0
 22 18  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 19  2  0  0  0  0
 27 22  1  0  0  0  0
 28 21  2  0  0  0  0
 29 25  2  0  0  0  0
 30 27  2  0  0  0  0
 29 26  1  0  0  0  0
 24 17  1  0  0  0  0
  8 15  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,516)
2516

>  <Formula> (2,516)
C23H29N3O3S

>  <MolWeight> (2,516)
427.55966

>  <PCAT_CMPD_ID> (2,516)
WAY-602988

>  <CNC_ID> (2,516)
359388936

>  <transfer_container_id> (2,516)
PTN000000071

>  <COMPOUND_NUMBER> (2,516)
WAY-602988

>  <BAR_CODE_NO> (2,516)
90436517

>  <LOCATION_CODE> (2,516)
PTNCS

>  <AMOUNT_CURRENT> (2,516)
32.8

$$$$
WAY-603002
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.0083   -0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.6667    0.0000 C   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
    0.3542   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.8083    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
    0.0542   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -1.2042    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  4  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  1  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  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  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 22  1  0  0  0  0
 22 20  2  0  0  0  0
 23 10  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 21  9  2  0  0  0  0
  5  6  2  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,517)
2517

>  <Formula> (2,517)
C20H22N2O3S

>  <MolWeight> (2,517)
370.46528

>  <PCAT_CMPD_ID> (2,517)
WAY-603002

>  <CNC_ID> (2,517)
359388950

>  <transfer_container_id> (2,517)
PTN000000071

>  <COMPOUND_NUMBER> (2,517)
WAY-603002

>  <BAR_CODE_NO> (2,517)
90436531

>  <LOCATION_CODE> (2,517)
PTNCS

>  <AMOUNT_CURRENT> (2,517)
32.8

$$$$
WAY-603052
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.3083    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -3.1875    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 16  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  3  2  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  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20  8  1  0  0  0  0
 21 18  1  0  0  0  0
 11 13  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,518)
2518

>  <Formula> (2,518)
C16H16O4S

>  <MolWeight> (2,518)
304.36084

>  <PCAT_CMPD_ID> (2,518)
WAY-603052

>  <CNC_ID> (2,518)
359389000

>  <transfer_container_id> (2,518)
PTN000000071

>  <COMPOUND_NUMBER> (2,518)
WAY-603052

>  <BAR_CODE_NO> (2,518)
90436586

>  <LOCATION_CODE> (2,518)
PTNCS

>  <AMOUNT_CURRENT> (2,518)
32.7

$$$$
WAY-603053
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4542   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    3.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  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  9  1  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9 12  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  6  2  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 13  1  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 18  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
  2  4  1  0  0  0  0
 25 21  2  0  0  0  0
 23 19  1  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,519)
2519

>  <Formula> (2,519)
C20H17NO3S

>  <MolWeight> (2,519)
351.41888

>  <PCAT_CMPD_ID> (2,519)
WAY-603053

>  <CNC_ID> (2,519)
359389001

>  <transfer_container_id> (2,519)
PTN000000071

>  <COMPOUND_NUMBER> (2,519)
WAY-603053

>  <BAR_CODE_NO> (2,519)
90436587

>  <LOCATION_CODE> (2,519)
PTNCS

>  <AMOUNT_CURRENT> (2,519)
32.8

$$$$
WAY-603111
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6833   -1.0667    0.0000 N   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
    0.3792   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7375   -2.0250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9375   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -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  2  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  2  0  0  0  0
  8  6  1  0  0  0  0
  9 17  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  7  1  0  0  0  0
 14  4  2  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  3  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
  9 16  1  0  0  0  0
 22 19  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,520)
2520

>  <Formula> (2,520)
C17H19N3O3

>  <MolWeight> (2,520)
313.35106

>  <PCAT_CMPD_ID> (2,520)
WAY-603111

>  <CNC_ID> (2,520)
359389059

>  <transfer_container_id> (2,520)
PTN000000071

>  <COMPOUND_NUMBER> (2,520)
WAY-603111

>  <BAR_CODE_NO> (2,520)
90436647

>  <LOCATION_CODE> (2,520)
PTNCS

>  <AMOUNT_CURRENT> (2,520)
32.4

$$$$
WAY-603163
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.2250    2.0375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.6750    0.0000 C   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
    1.2042   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    1.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    3.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -2.9125    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 11  1  0  0  0  0
  6  5  1  0  0  0  0
  7 15  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  2  0  0  0  0
 11 12  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 10  1  0  0  0  0
 16  5  2  0  0  0  0
 17 24  1  0  0  0  0
 18  2  1  0  0  0  0
 19  2  1  0  0  0  0
 20  4  2  0  0  0  0
 21  8  1  0  0  0  0
 22 25  2  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26  9  1  0  0  0  0
 27 15  1  0  0  0  0
 28 21  2  0  0  0  0
 29 28  1  0  0  0  0
 17 23  1  0  0  0  0
 22 11  1  0  0  0  0
  7  9  1  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,521)
2521

>  <Formula> (2,521)
C21H21N3O4S

>  <MolWeight> (2,521)
411.47414

>  <PCAT_CMPD_ID> (2,521)
WAY-603163

>  <CNC_ID> (2,521)
359389111

>  <transfer_container_id> (2,521)
PTN000000071

>  <COMPOUND_NUMBER> (2,521)
WAY-603163

>  <BAR_CODE_NO> (2,521)
90436704

>  <LOCATION_CODE> (2,521)
PTNCS

>  <AMOUNT_CURRENT> (2,521)
32.6

$$$$
WAY-603165
csChFnd80/11182011152D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -0.2833    1.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4292    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -4.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    3.4583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.3958    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  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 20  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17  4  2  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 10  2  0  0  0  0
 24 16  1  0  0  0  0
 25 23  1  0  0  0  0
 26 11  1  0  0  0  0
 27 11  2  0  0  0  0
 28 30  2  0  0  0  0
 29 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
 32 14  1  0  0  0  0
 33 15  1  0  0  0  0
 34 35  1  0  0  0  0
 35 32  2  0  0  0  0
 15  9  1  0  0  0  0
 29 28  1  0  0  0  0
 33 34  2  0  0  0  0
  8 21  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,522)
2522

>  <Formula> (2,522)
C25H24FN3O5S

>  <MolWeight> (2,522)
497.5385632

>  <PCAT_CMPD_ID> (2,522)
WAY-603165

>  <CNC_ID> (2,522)
359389113

>  <transfer_container_id> (2,522)
PTN000000071

>  <COMPOUND_NUMBER> (2,522)
WAY-603165

>  <BAR_CODE_NO> (2,522)
90436706

>  <LOCATION_CODE> (2,522)
PTNCS

>  <AMOUNT_CURRENT> (2,522)
33

$$$$
WAY-620098
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7375   -1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208    0.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208    0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917   -1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -2.3083    0.0000 Cl  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   -0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917    2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    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  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  7  1  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 17  1  0  0  0  0
  8  4  1  0  0  0  0
  5  9  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,523)
2803

>  <Formula> (2,523)
C14H18ClN3S

>  <MolWeight> (2,523)
295.83082

>  <PCAT_CMPD_ID> (2,523)
WAY-620098

>  <CNC_ID> (2,523)
359416496

>  <transfer_container_id> (2,523)
PTN000000073

>  <COMPOUND_NUMBER> (2,523)
WAY-620098

>  <BAR_CODE_NO> (2,523)
90454170

>  <LOCATION_CODE> (2,523)
PTNCS

>  <AMOUNT_CURRENT> (2,523)
32.1

$$$$
WAY-620156
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.7333    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -1.2542    0.0000 O   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
   -4.6792   -0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2667   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3208    2.1917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1458    0.7625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    1.8917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5542   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.1708    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 17  1  0  0  0  0
  5  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8  3  2  0  0  0  0
  9 23  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 18  2  0  0  0  0
 14  3  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17 14  2  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 20  1  1  0  0  0  0
 21  1  1  0  0  0  0
 22  1  1  0  0  0  0
 23 26  2  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
  5  4  2  0  0  0  0
 25  6  1  0  0  0  0
  7  9  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,524)
2804

>  <Formula> (2,524)
C18H18F3N3O2

>  <MolWeight> (2,524)
365.3496296

>  <PCAT_CMPD_ID> (2,524)
WAY-620156

>  <CNC_ID> (2,524)
359416554

>  <transfer_container_id> (2,524)
PTN000000073

>  <COMPOUND_NUMBER> (2,524)
WAY-620156

>  <BAR_CODE_NO> (2,524)
90454233

>  <LOCATION_CODE> (2,524)
PTNCS

>  <AMOUNT_CURRENT> (2,524)
32.8

$$$$
WAY-620161
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.6750   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    1.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    2.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042   -3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -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  2  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 11  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  9  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 13  1  0  0  0  0
 16 12  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 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 19  1  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  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  4  2  0  0  0  0
 24 23  1  0  0  0  0
 26 27  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,525)
2805

>  <Formula> (2,525)
C22H26N4O

>  <MolWeight> (2,525)
362.46804

>  <PCAT_CMPD_ID> (2,525)
WAY-620161

>  <CNC_ID> (2,525)
359416559

>  <transfer_container_id> (2,525)
PTN000000073

>  <COMPOUND_NUMBER> (2,525)
WAY-620161

>  <BAR_CODE_NO> (2,525)
90454238

>  <LOCATION_CODE> (2,525)
PTNCS

>  <AMOUNT_CURRENT> (2,525)
32.3

$$$$
WAY-620186
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.0292   -2.6917    0.0000 S   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
   -0.5417   -3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -4.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6458    3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    3.3958    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  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6 11  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  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 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  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 16  1  0  0  0  0
  5  4  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,526)
2806

>  <Formula> (2,526)
C11H11N3O2S2

>  <MolWeight> (2,526)
281.35394

>  <PCAT_CMPD_ID> (2,526)
WAY-620186

>  <CNC_ID> (2,526)
359416584

>  <transfer_container_id> (2,526)
PTN000000073

>  <COMPOUND_NUMBER> (2,526)
WAY-620186

>  <BAR_CODE_NO> (2,526)
90454263

>  <LOCATION_CODE> (2,526)
PTNCS

>  <AMOUNT_CURRENT> (2,526)
32.4

$$$$
WAY-620194
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.6208   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4792   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9542   -2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -2.8083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -2.1375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2917   -3.2250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  2  0  0  0  0
 19 15  1  0  0  0  0
 20 13  2  0  0  0  0
 21 16  1  0  0  0  0
 22 10  1  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 13  1  0  0  0  0
 27 26  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,527)
2807

>  <Formula> (2,527)
C15H12F3N5O3S

>  <MolWeight> (2,527)
399.3476896

>  <PCAT_CMPD_ID> (2,527)
WAY-620194

>  <CNC_ID> (2,527)
359416592

>  <transfer_container_id> (2,527)
PTN000000073

>  <COMPOUND_NUMBER> (2,527)
WAY-620194

>  <BAR_CODE_NO> (2,527)
90454272

>  <LOCATION_CODE> (2,527)
PTNCS

>  <AMOUNT_CURRENT> (2,527)
32.8

$$$$
WAY-620263
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.8542   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    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  2  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  7  3  2  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  2  1  0  0  0  0
 12  2  1  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 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  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 23  2  0  0  0  0
  7 10  1  0  0  0  0
 16  5  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,528)
2808

>  <Formula> (2,528)
C19H25N5O

>  <MolWeight> (2,528)
339.4347

>  <PCAT_CMPD_ID> (2,528)
WAY-620263

>  <CNC_ID> (2,528)
359416661

>  <transfer_container_id> (2,528)
PTN000000073

>  <COMPOUND_NUMBER> (2,528)
WAY-620263

>  <BAR_CODE_NO> (2,528)
90454343

>  <LOCATION_CODE> (2,528)
PTNCS

>  <AMOUNT_CURRENT> (2,528)
32.8

$$$$
WAY-620320
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.5750   -0.4125    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
    2.5750   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8542    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  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7 10  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  3  2  0  0  0  0
 12  4  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  3  1  0  0  0  0
 17  1  1  0  0  0  0
 18 21  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  2  0  0  0  0
 23 20  2  0  0  0  0
  8 18  2  0  0  0  0
  9 14  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,529)
2809

>  <Formula> (2,529)
C18H13NO3S

>  <MolWeight> (2,529)
323.36572

>  <PCAT_CMPD_ID> (2,529)
WAY-620320

>  <CNC_ID> (2,529)
359416718

>  <transfer_container_id> (2,529)
PTN000000073

>  <COMPOUND_NUMBER> (2,529)
WAY-620320

>  <BAR_CODE_NO> (2,529)
90454403

>  <LOCATION_CODE> (2,529)
PTNCS

>  <AMOUNT_CURRENT> (2,529)
32.7

$$$$
WAY-620333
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.6583   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    0.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.1917    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
   -0.7708   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -2.1750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    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  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  7  1  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
  8  4  1  0  0  0  0
  5  9  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,530)
2810

>  <Formula> (2,530)
C13H16ClN3S

>  <MolWeight> (2,530)
281.80424

>  <PCAT_CMPD_ID> (2,530)
WAY-620333

>  <CNC_ID> (2,530)
359416731

>  <transfer_container_id> (2,530)
PTN000000073

>  <COMPOUND_NUMBER> (2,530)
WAY-620333

>  <BAR_CODE_NO> (2,530)
90454416

>  <LOCATION_CODE> (2,530)
PTNCS

>  <AMOUNT_CURRENT> (2,530)
32.5

$$$$
WAY-620336
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.1125    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583    2.0583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3292   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -4.2667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -3.1042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -4.2083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3292    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917    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  9  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  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  2  1  0  0  0  0
 12  6  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 20  2  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 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  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
  8  4  1  0  0  0  0
 24 25  1  0  0  0  0
 17  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,531)
2811

>  <Formula> (2,531)
C18H13F3N2OS

>  <MolWeight> (2,531)
362.3688296

>  <PCAT_CMPD_ID> (2,531)
WAY-620336

>  <CNC_ID> (2,531)
359416734

>  <transfer_container_id> (2,531)
PTN000000073

>  <COMPOUND_NUMBER> (2,531)
WAY-620336

>  <BAR_CODE_NO> (2,531)
90454419

>  <LOCATION_CODE> (2,531)
PTNCS

>  <AMOUNT_CURRENT> (2,531)
33

$$$$
WAY-620354
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.6458   -1.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -2.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6458   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583   -2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6417    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    2.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6417    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    2.3708    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 15  1  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  9  2  0  0  0  0
 13  6  2  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 16  3  1  0  0  0  0
 17 10  1  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  2  0  0  0  0
 21  9  1  0  0  0  0
 22  7  2  0  0  0  0
 23  1  1  0  0  0  0
 24  2  1  0  0  0  0
 25 21  2  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
  5  6  1  0  0  0  0
 10 14  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,532)
2812

>  <Formula> (2,532)
C17H17N3O7

>  <MolWeight> (2,532)
375.33278

>  <PCAT_CMPD_ID> (2,532)
WAY-620354

>  <CNC_ID> (2,532)
359416752

>  <transfer_container_id> (2,532)
PTN000000073

>  <COMPOUND_NUMBER> (2,532)
WAY-620354

>  <BAR_CODE_NO> (2,532)
90454437

>  <LOCATION_CODE> (2,532)
PTNCS

>  <AMOUNT_CURRENT> (2,532)
32.4

$$$$
WAY-620477
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.0417    4.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    2.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -2.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583    4.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -5.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    3.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    5.2250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    4.9208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -5.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    4.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    4.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583   -0.8500    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 10  1  0  0  0  0
  6 15  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 22  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  2  2  0  0  0  0
 15  4  1  0  0  0  0
 16 13  2  0  0  0  0
 17  5  2  0  0  0  0
 18  4  2  0  0  0  0
 19  1  1  0  0  0  0
 20  1  1  0  0  0  0
 21  1  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24  6  1  0  0  0  0
 25  6  1  0  0  0  0
 26  5  1  0  0  0  0
 27  7  2  0  0  0  0
 28  8  2  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  2  0  0  0  0
 32 30  2  0  0  0  0
 11 31  1  0  0  0  0
 16 32  1  0  0  0  0
 23 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,533)
2813

>  <Formula> (2,533)
C22H23F3N4O3

>  <MolWeight> (2,533)
448.4382296

>  <PCAT_CMPD_ID> (2,533)
WAY-620477

>  <CNC_ID> (2,533)
359416875

>  <transfer_container_id> (2,533)
PTN000000073

>  <COMPOUND_NUMBER> (2,533)
WAY-620477

>  <BAR_CODE_NO> (2,533)
90454562

>  <LOCATION_CODE> (2,533)
PTNCS

>  <AMOUNT_CURRENT> (2,533)
32.5

$$$$
WAY-620499
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.9625   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1542   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    2.1708    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
   -0.7417   -2.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -3.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.2208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5083    0.5208    0.0000 F   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 17  1  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  2  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  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15 13  2  0  0  0  0
 16  1  1  0  0  0  0
 17 20  1  0  0  0  0
 18 16  2  0  0  0  0
 19  5  2  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 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 11  1  0  0  0  0
 18 14  1  0  0  0  0
  7 10  1  0  0  0  0
 12  8  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,534)
2814

>  <Formula> (2,534)
C14H8F3N5O2S

>  <MolWeight> (2,534)
367.3058296

>  <PCAT_CMPD_ID> (2,534)
WAY-620499

>  <CNC_ID> (2,534)
359416897

>  <transfer_container_id> (2,534)
PTN000000073

>  <COMPOUND_NUMBER> (2,534)
WAY-620499

>  <BAR_CODE_NO> (2,534)
90454584

>  <LOCATION_CODE> (2,534)
PTNCS

>  <AMOUNT_CURRENT> (2,534)
32.4

$$$$
WAY-620528
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.0583    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5417    2.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    3.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750    0.2125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0792   -1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0458    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -1.1750    0.0000 C   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
  2  8  2  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  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 19  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  9  2  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  4  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
  6 11  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,535)
2815

>  <Formula> (2,535)
C15H19N5O3S

>  <MolWeight> (2,535)
349.40806

>  <PCAT_CMPD_ID> (2,535)
WAY-620528

>  <CNC_ID> (2,535)
359416926

>  <transfer_container_id> (2,535)
PTN000000073

>  <COMPOUND_NUMBER> (2,535)
WAY-620528

>  <BAR_CODE_NO> (2,535)
90454613

>  <LOCATION_CODE> (2,535)
PTNCS

>  <AMOUNT_CURRENT> (2,535)
32.4

$$$$
WAY-638747
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4333    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    3.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    1.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -3.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  2  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 23  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  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 20  1  0  0  0  0
 17 10  1  0  0  0  0
 18  2  1  0  0  0  0
 19 13  2  0  0  0  0
 20 15  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  7  1  0  0  0  0
 25 24  1  0  0  0  0
 25  9  1  0  0  0  0
 19 12  1  0  0  0  0
 16  4  2  0  0  0  0
M  END
>  <Mol_ID> (2,536)
2816

>  <Formula> (2,536)
C18H17Cl2NO3S

>  <MolWeight> (2,536)
398.30348

>  <PCAT_CMPD_ID> (2,536)
WAY-638747

>  <CNC_ID> (2,536)
359417203

>  <transfer_container_id> (2,536)
PTN000000073

>  <COMPOUND_NUMBER> (2,536)
WAY-638747

>  <BAR_CODE_NO> (2,536)
90473252

>  <LOCATION_CODE> (2,536)
PTNCS

>  <AMOUNT_CURRENT> (2,536)
32.5

$$$$
WAY-638792
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.6583   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.9333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.3458    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  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  3  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  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  5  1  0  0  0  0
 17 15  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 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
  4  2  2  0  0  0  0
 24 20  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,537)
2817

>  <Formula> (2,537)
C19H21N3OS

>  <MolWeight> (2,537)
339.45454

>  <PCAT_CMPD_ID> (2,537)
WAY-638792

>  <CNC_ID> (2,537)
359417248

>  <transfer_container_id> (2,537)
PTN000000073

>  <COMPOUND_NUMBER> (2,537)
WAY-638792

>  <BAR_CODE_NO> (2,537)
90473299

>  <LOCATION_CODE> (2,537)
PTNCS

>  <AMOUNT_CURRENT> (2,537)
32.2

$$$$
WAY-638897
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.2708    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.4417    0.0000 N   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
   -0.1125   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -2.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.5583    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
    4.6250    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    0.6458    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  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10 16  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 13  1  0  0  0  0
 15 10  2  0  0  0  0
 16 14  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 18  1  0  0  0  0
 21 14  1  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
  7  9  2  0  0  0  0
  6  3  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,538)
2818

>  <Formula> (2,538)
C17H24N4O2S

>  <MolWeight> (2,538)
348.46306

>  <PCAT_CMPD_ID> (2,538)
WAY-638897

>  <CNC_ID> (2,538)
359417353

>  <transfer_container_id> (2,538)
PTN000000073

>  <COMPOUND_NUMBER> (2,538)
WAY-638897

>  <BAR_CODE_NO> (2,538)
90473404

>  <LOCATION_CODE> (2,538)
PTNCS

>  <AMOUNT_CURRENT> (2,538)
32.9

$$$$
WAY-639038
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9417   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -3.6167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -2.3792    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 11  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  2  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  1  0  0  0  0
 11 14  2  0  0  0  0
 12  8  2  0  0  0  0
 13 21  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  3  2  0  0  0  0
 18 17  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 22 12  1  0  0  0  0
  4  2  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,539)
2819

>  <Formula> (2,539)
C17H16FNO3

>  <MolWeight> (2,539)
301.3122432

>  <PCAT_CMPD_ID> (2,539)
WAY-639038

>  <CNC_ID> (2,539)
359417494

>  <transfer_container_id> (2,539)
PTN000000073

>  <COMPOUND_NUMBER> (2,539)
WAY-639038

>  <BAR_CODE_NO> (2,539)
90473546

>  <LOCATION_CODE> (2,539)
PTNCS

>  <AMOUNT_CURRENT> (2,539)
32.3

$$$$
WAY-639067
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2583   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.1958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    3.0583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -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  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 10  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 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  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
  6  4  2  0  0  0  0
 21 22  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,540)
2820

>  <Formula> (2,540)
C16H17FN2OS2

>  <MolWeight> (2,540)
336.4473832

>  <PCAT_CMPD_ID> (2,540)
WAY-639067

>  <CNC_ID> (2,540)
359417523

>  <transfer_container_id> (2,540)
PTN000000073

>  <COMPOUND_NUMBER> (2,540)
WAY-639067

>  <BAR_CODE_NO> (2,540)
90473575

>  <LOCATION_CODE> (2,540)
PTNCS

>  <AMOUNT_CURRENT> (2,540)
32.9

$$$$
WAY-639105
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.2042   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.0333    0.0000 C   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
    3.9250   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9875    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -1.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  3  1  1  0  0  0  0
  4 10  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  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10 21  1  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  3  2  0  0  0  0
 15  9  1  0  0  0  0
 16  4  2  0  0  0  0
 17  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21 17  1  0  0  0  0
 22  8  1  0  0  0  0
 23  1  1  0  0  0  0
 24  8  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
 26 24  2  0  0  0  0
 20  5  1  0  0  0  0
  7 19  1  0  0  0  0
 18  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,541)
2821

>  <Formula> (2,541)
C21H27ClN2O2

>  <MolWeight> (2,541)
374.90428

>  <PCAT_CMPD_ID> (2,541)
WAY-639105

>  <CNC_ID> (2,541)
359417561

>  <transfer_container_id> (2,541)
PTN000000073

>  <COMPOUND_NUMBER> (2,541)
WAY-639105

>  <BAR_CODE_NO> (2,541)
90473613

>  <LOCATION_CODE> (2,541)
PTNCS

>  <AMOUNT_CURRENT> (2,541)
32.7

$$$$
WAY-639315
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.6333   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -1.6000    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
    0.7917    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    2.9375    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  8  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  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  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 10  1  0  0  0  0
 20 14  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 19  2  0  0  0  0
 25 21  1  0  0  0  0
 26 20  2  0  0  0  0
  5  3  1  0  0  0  0
 23 18  2  0  0  0  0
 14 10  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,542)
2822

>  <Formula> (2,542)
C21H21N3O2

>  <MolWeight> (2,542)
347.41034

>  <PCAT_CMPD_ID> (2,542)
WAY-639315

>  <CNC_ID> (2,542)
359417771

>  <transfer_container_id> (2,542)
PTN000000073

>  <COMPOUND_NUMBER> (2,542)
WAY-639315

>  <BAR_CODE_NO> (2,542)
90473828

>  <LOCATION_CODE> (2,542)
PTNCS

>  <AMOUNT_CURRENT> (2,542)
33

$$$$
WAY-639353
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.3958    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -2.2750    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
    1.0292    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    2.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5458    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    2.9625    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  4  1  0  0  0  0
  6 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 16  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 20  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  3  2  0  0  0  0
 19  6  2  0  0  0  0
 20 10  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23  8  1  0  0  0  0
 24  5  1  0  0  0  0
 25 14  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
 14  5  2  0  0  0  0
 26 27  1  0  0  0  0
 23  9  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,543)
2823

>  <Formula> (2,543)
C23H30N2O2

>  <MolWeight> (2,543)
366.4965

>  <PCAT_CMPD_ID> (2,543)
WAY-639353

>  <CNC_ID> (2,543)
359417809

>  <transfer_container_id> (2,543)
PTN000000073

>  <COMPOUND_NUMBER> (2,543)
WAY-639353

>  <BAR_CODE_NO> (2,543)
90473866

>  <LOCATION_CODE> (2,543)
PTNCS

>  <AMOUNT_CURRENT> (2,543)
32.2

$$$$
WAY-639505
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.9000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -0.9792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8208   -0.9792    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  1  1  0  0  0  0
  5 10  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  0  0  0  0
 11 12  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  3  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 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
 20 16  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,544)
2824

>  <Formula> (2,544)
C17H17FN2O3

>  <MolWeight> (2,544)
316.3268832

>  <PCAT_CMPD_ID> (2,544)
WAY-639505

>  <CNC_ID> (2,544)
359417961

>  <transfer_container_id> (2,544)
PTN000000073

>  <COMPOUND_NUMBER> (2,544)
WAY-639505

>  <BAR_CODE_NO> (2,544)
90474021

>  <LOCATION_CODE> (2,544)
PTNCS

>  <AMOUNT_CURRENT> (2,544)
33

$$$$
WAY-639514
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.6417   -3.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    6.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.0250    0.0000 O   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
   -1.6458    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -4.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583    4.4917    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
   -2.3583    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  3  0  0  0  0
  5 17  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8 18  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  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 28  1  0  0  0  0
 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17 23  2  0  0  0  0
 18 21  2  0  0  0  0
 19  7  1  0  0  0  0
 20 15  2  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 19  1  0  0  0  0
 25 19  2  0  0  0  0
 26  1  1  0  0  0  0
 27  1  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30  9  1  0  0  0  0
 14 29  1  0  0  0  0
 20 18  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,545)
2825

>  <Formula> (2,545)
C22H25N5O3

>  <MolWeight> (2,545)
407.4656

>  <PCAT_CMPD_ID> (2,545)
WAY-639514

>  <CNC_ID> (2,545)
359417970

>  <transfer_container_id> (2,545)
PTN000000073

>  <COMPOUND_NUMBER> (2,545)
WAY-639514

>  <BAR_CODE_NO> (2,545)
90474030

>  <LOCATION_CODE> (2,545)
PTNCS

>  <AMOUNT_CURRENT> (2,545)
32.6

$$$$
WAY-657956
csChFnd80/11182011152D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.0250    2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    3.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    3.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -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  9  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 13  2  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 11  2  0  0  0  0
 15  3  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 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  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
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 14  6  1  0  0  0  0
  5  7  1  0  0  0  0
 25 21  2  0  0  0  0
  8  4  2  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,546)
2826

>  <Formula> (2,546)
C17H10BrN5OS2

>  <MolWeight> (2,546)
444.3282

>  <PCAT_CMPD_ID> (2,546)
WAY-657956

>  <CNC_ID> (2,546)
359418012

>  <transfer_container_id> (2,546)
PTN000000073

>  <COMPOUND_NUMBER> (2,546)
WAY-657956

>  <BAR_CODE_NO> (2,546)
90492684

>  <LOCATION_CODE> (2,546)
PTNCS

>  <AMOUNT_CURRENT> (2,546)
32.9

$$$$
WAY-658578
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1583   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    4.3792    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  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  8  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 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  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 13  2  0  0  0  0
 23 14  2  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 25  1  0  0  0  0
  9  8  2  0  0  0  0
  6  7  2  0  0  0  0
 23 22  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,547)
2827

>  <Formula> (2,547)
C20H20N4O2S

>  <MolWeight> (2,547)
380.4634

>  <PCAT_CMPD_ID> (2,547)
WAY-658578

>  <CNC_ID> (2,547)
359418632

>  <transfer_container_id> (2,547)
PTN000000073

>  <COMPOUND_NUMBER> (2,547)
WAY-658578

>  <BAR_CODE_NO> (2,547)
90493313

>  <LOCATION_CODE> (2,547)
PTNCS

>  <AMOUNT_CURRENT> (2,547)
32.3

$$$$
WAY-659092
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.7833    0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.5875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -0.4000    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 12  1  0  0  0  0
  5  8  2  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  2  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  2  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  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 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
 13 16  1  0  0  0  0
 11  9  1  0  0  0  0
  5  6  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,548)
2828

>  <Formula> (2,548)
C14H9ClN6OS

>  <MolWeight> (2,548)
344.77886

>  <PCAT_CMPD_ID> (2,548)
WAY-659092

>  <CNC_ID> (2,548)
359419145

>  <transfer_container_id> (2,548)
PTN000000073

>  <COMPOUND_NUMBER> (2,548)
WAY-659092

>  <BAR_CODE_NO> (2,548)
90493832

>  <LOCATION_CODE> (2,548)
PTNCS

>  <AMOUNT_CURRENT> (2,548)
32.7

$$$$
WAY-659163
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.0757   -0.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8964   -0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1343   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8964   -2.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1343   -2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2446   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2446   -2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0657   -1.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9554   -0.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9554    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1036    2.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5933    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347    3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9864    3.8241    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  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
 16 18  2  0  0  0  0
 17 19  2  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> (2,549)
2829

>  <Formula> (2,549)
C15H13N3O

>  <MolWeight> (2,549)
251.28322

>  <PCAT_CMPD_ID> (2,549)
WAY-659163

>  <CNC_ID> (2,549)
359419216

>  <transfer_container_id> (2,549)
PTN000000073

>  <COMPOUND_NUMBER> (2,549)
WAY-659163

>  <BAR_CODE_NO> (2,549)
90493903

>  <LOCATION_CODE> (2,549)
PTNCS

>  <AMOUNT_CURRENT> (2,549)
32.7

$$$$
WAY-659200
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.8750   -0.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5875    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -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  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8 12  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  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
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20  9  1  0  0  0  0
 21 18  2  0  0  0  0
 22 20  2  0  0  0  0
  9  6  2  0  0  0  0
 21 22  1  0  0  0  0
 13  8  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,550)
2830

>  <Formula> (2,550)
C18H17NO3

>  <MolWeight> (2,550)
295.33248

>  <PCAT_CMPD_ID> (2,550)
WAY-659200

>  <CNC_ID> (2,550)
359419253

>  <transfer_container_id> (2,550)
PTN000000073

>  <COMPOUND_NUMBER> (2,550)
WAY-659200

>  <BAR_CODE_NO> (2,550)
90493940

>  <LOCATION_CODE> (2,550)
PTNCS

>  <AMOUNT_CURRENT> (2,550)
32.4

$$$$
WAY-659481
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.7458   -1.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -1.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -5.6750    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  8  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 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  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  8  2  0  0  0  0
 19 10  2  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 25  1  0  0  0  0
 24 19  1  0  0  0  0
 25 20  2  0  0  0  0
 26 23  1  0  0  0  0
  6  7  1  0  0  0  0
 23 24  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,551)
2831

>  <Formula> (2,551)
C17H14FN3O3S2

>  <MolWeight> (2,551)
391.4397632

>  <PCAT_CMPD_ID> (2,551)
WAY-659481

>  <CNC_ID> (2,551)
359419534

>  <transfer_container_id> (2,551)
PTN000000073

>  <COMPOUND_NUMBER> (2,551)
WAY-659481

>  <BAR_CODE_NO> (2,551)
90494223

>  <LOCATION_CODE> (2,551)
PTNCS

>  <AMOUNT_CURRENT> (2,551)
32.6

$$$$
WAY-659538
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.5250   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.3417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4833    0.8958    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
   -3.1958   -0.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -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  2  0  0  0  0
  4  3  1  0  0  0  0
  5 11  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 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11  7  1  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  5  2  0  0  0  0
 16 12  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19  6  1  0  0  0  0
 20 14  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
  6  4  2  0  0  0  0
 12  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,552)
2832

>  <Formula> (2,552)
C14H15N3O3S2

>  <MolWeight> (2,552)
337.4172

>  <PCAT_CMPD_ID> (2,552)
WAY-659538

>  <CNC_ID> (2,552)
359419591

>  <transfer_container_id> (2,552)
PTN000000073

>  <COMPOUND_NUMBER> (2,552)
WAY-659538

>  <BAR_CODE_NO> (2,552)
90494280

>  <LOCATION_CODE> (2,552)
PTNCS

>  <AMOUNT_CURRENT> (2,552)
32.6

$$$$
WAY-325840
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
    5.7292   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -2.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -2.7542    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
    5.0167   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -5.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -4.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   -5.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -6.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7917   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    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  2  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 12  1  0  0  0  0
  8  6  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 11  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  5  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  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  6  1  0  0  0  0
 25  8  1  0  0  0  0
 26 19  1  0  0  0  0
 27 16  1  0  0  0  0
 28 16  2  0  0  0  0
 29 26  1  0  0  0  0
 30 24  2  0  0  0  0
 31 30  1  0  0  0  0
 32 27  2  0  0  0  0
 33 28  1  0  0  0  0
 34 33  2  0  0  0  0
  5  3  2  0  0  0  0
  7 13  1  0  0  0  0
 31 25  2  0  0  0  0
 32 34  1  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,553)
2833

>  <Formula> (2,553)
C27H26N4O3

>  <MolWeight> (2,553)
454.52034

>  <PCAT_CMPD_ID> (2,553)
WAY-325840

>  <CNC_ID> (2,553)
359422818

>  <transfer_container_id> (2,553)
PTN000000074

>  <COMPOUND_NUMBER> (2,553)
WAY-325840

>  <BAR_CODE_NO> (2,553)
300841

>  <LOCATION_CODE> (2,553)
PTNCS

>  <AMOUNT_CURRENT> (2,553)
32.5

$$$$
WAY-325853
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.3375   -9.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -5.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -8.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -4.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -7.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -9.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -9.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -5.7917    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  3  1  0  0  0  0
  6 16  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  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  7  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 14  2  0  0  0  0
 19  1  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  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 27  1  0  0  0  0
 27 23  2  0  0  0  0
  6 15  1  0  0  0  0
  7  5  2  0  0  0  0
 26 24  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,554)
2834

>  <Formula> (2,554)
C20H22N4O2S

>  <MolWeight> (2,554)
382.47928

>  <PCAT_CMPD_ID> (2,554)
WAY-325853

>  <CNC_ID> (2,554)
359422831

>  <transfer_container_id> (2,554)
PTN000000074

>  <COMPOUND_NUMBER> (2,554)
WAY-325853

>  <BAR_CODE_NO> (2,554)
300854

>  <LOCATION_CODE> (2,554)
PTNCS

>  <AMOUNT_CURRENT> (2,554)
32.5

$$$$
WAY-325868
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2917   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  9  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  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  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 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17 23  1  0  0  0  0
 18 16  2  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 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 13  2  0  0  0  0
 25 14  2  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
 13 14  1  0  0  0  0
 27 28  2  0  0  0  0
  3 10  1  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,555)
2835

>  <Formula> (2,555)
C21H19N5O2

>  <MolWeight> (2,555)
373.40786

>  <PCAT_CMPD_ID> (2,555)
WAY-325868

>  <CNC_ID> (2,555)
359422845

>  <transfer_container_id> (2,555)
PTN000000074

>  <COMPOUND_NUMBER> (2,555)
WAY-325868

>  <BAR_CODE_NO> (2,555)
300869

>  <LOCATION_CODE> (2,555)
PTNCS

>  <AMOUNT_CURRENT> (2,555)
32.5

$$$$
WAY-325876
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2625    3.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.9583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.6708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8833    1.9583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0167    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    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  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  1  0  0  0  0
  8  5  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  7  1  0  0  0  0
 13  6  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
  3  4  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,556)
2836

>  <Formula> (2,556)
C11H18N2O3

>  <MolWeight> (2,556)
226.27222

>  <PCAT_CMPD_ID> (2,556)
WAY-325876

>  <CNC_ID> (2,556)
359422853

>  <transfer_container_id> (2,556)
PTN000000074

>  <COMPOUND_NUMBER> (2,556)
WAY-325876

>  <BAR_CODE_NO> (2,556)
300877

>  <LOCATION_CODE> (2,556)
PTNCS

>  <AMOUNT_CURRENT> (2,556)
32.5

$$$$
WAY-325898
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9708    1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.0125    0.0000 N   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
   -1.4125    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.3125    0.0000 N   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
   -1.4125   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.4042    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
    0.6667    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  7  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  2  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  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  1  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 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
 21 17  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,557)
2837

>  <Formula> (2,557)
C14H13BrN6

>  <MolWeight> (2,557)
345.19722

>  <PCAT_CMPD_ID> (2,557)
WAY-325898

>  <CNC_ID> (2,557)
359422873

>  <transfer_container_id> (2,557)
PTN000000074

>  <COMPOUND_NUMBER> (2,557)
WAY-325898

>  <BAR_CODE_NO> (2,557)
300899

>  <LOCATION_CODE> (2,557)
PTNCS

>  <AMOUNT_CURRENT> (2,557)
32.5

$$$$
WAY-325900
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.0500    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.7958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0500    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -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  2  1  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  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  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  6  1  0  0  0  0
 15  9  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
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
  7  4  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,558)
2838

>  <Formula> (2,558)
C14H16N2O4

>  <MolWeight> (2,558)
276.28784

>  <PCAT_CMPD_ID> (2,558)
WAY-325900

>  <CNC_ID> (2,558)
359422875

>  <transfer_container_id> (2,558)
PTN000000074

>  <COMPOUND_NUMBER> (2,558)
WAY-325900

>  <BAR_CODE_NO> (2,558)
300901

>  <LOCATION_CODE> (2,558)
PTNCS

>  <AMOUNT_CURRENT> (2,558)
32.5

$$$$
WAY-325974
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2625   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -3.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.9583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    2.8208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    1.7458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.7458    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  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10 20  1  0  0  0  0
 11  1  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 10  2  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19 10  1  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 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  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
  3  7  1  0  0  0  0
 14 13  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,559)
2839

>  <Formula> (2,559)
C19H16F3N3O2S

>  <MolWeight> (2,559)
407.4094496

>  <PCAT_CMPD_ID> (2,559)
WAY-325974

>  <CNC_ID> (2,559)
359422949

>  <transfer_container_id> (2,559)
PTN000000074

>  <COMPOUND_NUMBER> (2,559)
WAY-325974

>  <BAR_CODE_NO> (2,559)
300975

>  <LOCATION_CODE> (2,559)
PTNCS

>  <AMOUNT_CURRENT> (2,559)
32.5

$$$$
WAY-325548
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    9.6417    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    3.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417    5.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875    3.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667    3.7333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875    2.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    5.8292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4750    7.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    1.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8875    7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417    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  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  1  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  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15 18  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  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 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 22  1  0  0  0  0
 29 25  1  0  0  0  0
 10 12  2  0  0  0  0
  4  3  2  0  0  0  0
 11  7  2  0  0  0  0
 23 25  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,560)
2840

>  <Formula> (2,560)
C21H22N4O2S2

>  <MolWeight> (2,560)
426.55498

>  <PCAT_CMPD_ID> (2,560)
WAY-325548

>  <CNC_ID> (2,560)
359422528

>  <transfer_container_id> (2,560)
PTN000000074

>  <COMPOUND_NUMBER> (2,560)
WAY-325548

>  <BAR_CODE_NO> (2,560)
300549

>  <LOCATION_CODE> (2,560)
PTNCS

>  <AMOUNT_CURRENT> (2,560)
32.5

$$$$
WAY-325578
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6792    9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    7.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250    8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792    8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125    7.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    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  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  6  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  4  2  0  0  0  0
 12  5  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 17  2  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
  2  4  1  0  0  0  0
 16 11  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,561)
2841

>  <Formula> (2,561)
C17H16N2O

>  <MolWeight> (2,561)
264.32174

>  <PCAT_CMPD_ID> (2,561)
WAY-325578

>  <CNC_ID> (2,561)
359422558

>  <transfer_container_id> (2,561)
PTN000000074

>  <COMPOUND_NUMBER> (2,561)
WAY-325578

>  <BAR_CODE_NO> (2,561)
300579

>  <LOCATION_CODE> (2,561)
PTNCS

>  <AMOUNT_CURRENT> (2,561)
32.5

$$$$
WAY-325579
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.0375    7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917    7.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250    6.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    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  8  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  6  1  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 10  2  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 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  4  5  1  0  0  0  0
 18 17  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,562)
2842

>  <Formula> (2,562)
C18H18N2O

>  <MolWeight> (2,562)
278.34832

>  <PCAT_CMPD_ID> (2,562)
WAY-325579

>  <CNC_ID> (2,562)
359422559

>  <transfer_container_id> (2,562)
PTN000000074

>  <COMPOUND_NUMBER> (2,562)
WAY-325579

>  <BAR_CODE_NO> (2,562)
300580

>  <LOCATION_CODE> (2,562)
PTNCS

>  <AMOUNT_CURRENT> (2,562)
32.5

$$$$
WAY-325602
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.9763   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9728   -1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7521    0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659    0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590   -1.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2280   -0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520   -0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -2.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520   -1.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383   -0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9107    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1479    0.2237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487   -2.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763    0.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273   -0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6342    0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9411   -1.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6272    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3480   -0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3341    1.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0479    0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410    1.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273    2.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7618   -0.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7514    1.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0410    2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7652   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4721    1.0306    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  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
 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  7  1  0  0  0  0
  9 11  1  0  0  0  0
 13 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,563)
2843

>  <Formula> (2,563)
C24H24N2O4

>  <MolWeight> (2,563)
404.45836

>  <PCAT_CMPD_ID> (2,563)
WAY-325602

>  <CNC_ID> (2,563)
359422582

>  <transfer_container_id> (2,563)
PTN000000074

>  <COMPOUND_NUMBER> (2,563)
WAY-325602

>  <BAR_CODE_NO> (2,563)
300603

>  <LOCATION_CODE> (2,563)
PTNCS

>  <AMOUNT_CURRENT> (2,563)
32.5

$$$$
WAY-325619
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.1875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -4.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917   -3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -2.9500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8917   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -4.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6042   -3.3667    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
    4.9000   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -3.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -3.3667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -5.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -2.5292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -2.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.3667    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  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  6  1  0  0  0  0
  9  8  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 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 20 22  2  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24  5  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  1  0  0  0  0
 27  9  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
 19 17  2  0  0  0  0
 13 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,564)
2844

>  <Formula> (2,564)
C15H13Cl2N5O

>  <MolWeight> (2,564)
350.20262

>  <PCAT_CMPD_ID> (2,564)
WAY-325619

>  <CNC_ID> (2,564)
359422599

>  <transfer_container_id> (2,564)
PTN000000074

>  <COMPOUND_NUMBER> (2,564)
WAY-325619

>  <BAR_CODE_NO> (2,564)
300620

>  <LOCATION_CODE> (2,564)
PTNCS

>  <AMOUNT_CURRENT> (2,564)
32.5

$$$$
WAY-325668
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.1500   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.3792    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1458    0.8833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5792    0.4625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8625   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.8625    0.0000 F   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  1  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  1  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  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15 17  2  0  0  0  0
  5 16  1  1  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
  4  5  1  0  0  0  0
 15 10  1  0  0  0  0
 12 14  2  0  0  0  0
 18  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,565)
2845

>  <Formula> (2,565)
C15H14FNO2

>  <MolWeight> (2,565)
259.2755632

>  <PCAT_CMPD_ID> (2,565)
WAY-325668

>  <CNC_ID> (2,565)
359422648

>  <transfer_container_id> (2,565)
PTN000000074

>  <COMPOUND_NUMBER> (2,565)
WAY-325668

>  <BAR_CODE_NO> (2,565)
300669

>  <LOCATION_CODE> (2,565)
PTNCS

>  <AMOUNT_CURRENT> (2,565)
32.5

$$$$
WAY-325669
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.1458   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.3792    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1458    0.8750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5792    0.4625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8625   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.8625    0.0000 Cl  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  1  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  1  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  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15 17  2  0  0  0  0
  5 16  1  1  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
  4  5  1  0  0  0  0
 15 10  1  0  0  0  0
 12 14  2  0  0  0  0
 18  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,566)
2846

>  <Formula> (2,566)
C15H14ClNO2

>  <MolWeight> (2,566)
275.73016

>  <PCAT_CMPD_ID> (2,566)
WAY-325669

>  <CNC_ID> (2,566)
359422649

>  <transfer_container_id> (2,566)
PTN000000074

>  <COMPOUND_NUMBER> (2,566)
WAY-325669

>  <BAR_CODE_NO> (2,566)
300670

>  <LOCATION_CODE> (2,566)
PTNCS

>  <AMOUNT_CURRENT> (2,566)
32.5

$$$$
WAY-325688
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.8167   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -4.2667    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  3  2  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  2  1  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 12  1  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 11  2  0  0  0  0
 18 15  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  8  2  0  0  0  0
 23  9  2  0  0  0  0
 24 16  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
 27 24  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
  9  8  1  0  0  0  0
  7  6  2  0  0  0  0
 28 29  2  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,567)
2847

>  <Formula> (2,567)
C24H21NO5

>  <MolWeight> (2,567)
403.42724

>  <PCAT_CMPD_ID> (2,567)
WAY-325688

>  <CNC_ID> (2,567)
359422666

>  <transfer_container_id> (2,567)
PTN000000074

>  <COMPOUND_NUMBER> (2,567)
WAY-325688

>  <BAR_CODE_NO> (2,567)
300689

>  <LOCATION_CODE> (2,567)
PTNCS

>  <AMOUNT_CURRENT> (2,567)
32.5

$$$$
WAY-325694
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4292    0.9208    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
    1.8500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.7708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2042    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.6375    0.0000 O   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
    3.4667    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.9833    0.0000 C   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
   -0.8333    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.3833    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
   -1.0500    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    3.7708    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  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  3  1  0  0  0  0
 10 11  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
 14  7  2  0  0  0  0
 15  8  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 12  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 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  4  2  2  0  0  0  0
  9 10  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,568)
2848

>  <Formula> (2,568)
C19H22N2O3S

>  <MolWeight> (2,568)
358.45458

>  <PCAT_CMPD_ID> (2,568)
WAY-325694

>  <CNC_ID> (2,568)
359422672

>  <transfer_container_id> (2,568)
PTN000000074

>  <COMPOUND_NUMBER> (2,568)
WAY-325694

>  <BAR_CODE_NO> (2,568)
300695

>  <LOCATION_CODE> (2,568)
PTNCS

>  <AMOUNT_CURRENT> (2,568)
32.5

$$$$
WAY-325696
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.5125   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.2542    0.0000 N   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
    1.2792   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -1.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -1.7875    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
   -1.3833    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    0.4125    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
    2.4875   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    2.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2708    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    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  7  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  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11 12  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  5  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 13  1  0  0  0  0
 23 16  1  0  0  0  0
 24 12  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  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 25  2  0  0  0  0
 31 29  2  0  0  0  0
 11  4  1  0  0  0  0
 30 31  1  0  0  0  0
  9 10  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,569)
2849

>  <Formula> (2,569)
C22H20N4O4S

>  <MolWeight> (2,569)
436.4836

>  <PCAT_CMPD_ID> (2,569)
WAY-325696

>  <CNC_ID> (2,569)
359422674

>  <transfer_container_id> (2,569)
PTN000000074

>  <COMPOUND_NUMBER> (2,569)
WAY-325696

>  <BAR_CODE_NO> (2,569)
300697

>  <LOCATION_CODE> (2,569)
PTNCS

>  <AMOUNT_CURRENT> (2,569)
32.5

$$$$
WAY-325751
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.7208    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.7125    0.0000 C   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
    1.2167   -1.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    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  2  0  0  0  0
  4  9  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  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  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  9  1  0  0  0  0
 17  5  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 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  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
  4  3  1  0  0  0  0
  8  7  1  0  0  0  0
 11 13  1  0  0  0  0
 27 28  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,570)
2850

>  <Formula> (2,570)
C22H18N4O2

>  <MolWeight> (2,570)
370.40392

>  <PCAT_CMPD_ID> (2,570)
WAY-325751

>  <CNC_ID> (2,570)
359422729

>  <transfer_container_id> (2,570)
PTN000000074

>  <COMPOUND_NUMBER> (2,570)
WAY-325751

>  <BAR_CODE_NO> (2,570)
300752

>  <LOCATION_CODE> (2,570)
PTNCS

>  <AMOUNT_CURRENT> (2,570)
32.5

$$$$
WAY-326005
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0500    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667    1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -2.3292    0.0000 C   0  0  3  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
    0.0542   -0.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    2.6958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    2.3958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    1.5458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958   -0.1792    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  3  1  0  0  0  0
  5  6  2  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 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12  8  2  0  0  0  0
 13 22  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 10  1  0  0  0  0
 18 27  1  0  0  0  0
 19  2  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  2  0  0  0  0
 22 20  2  0  0  0  0
 23  1  1  0  0  0  0
 24  1  1  0  0  0  0
 25  1  1  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
 28 17  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
  2  5  1  0  0  0  0
  9 13  2  0  0  0  0
 15 16  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (2,571)
2851

>  <Formula> (2,571)
C23H20F3N3O3S

>  <MolWeight> (2,571)
475.4834096

>  <PCAT_CMPD_ID> (2,571)
WAY-326005

>  <CNC_ID> (2,571)
359422980

>  <transfer_container_id> (2,571)
PTN000000074

>  <COMPOUND_NUMBER> (2,571)
WAY-326005

>  <BAR_CODE_NO> (2,571)
301006

>  <LOCATION_CODE> (2,571)
PTNCS

>  <AMOUNT_CURRENT> (2,571)
32.5

$$$$
WAY-326212
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.2625  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4375  -11.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -9.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8042   -9.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4042   -8.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292  -12.9042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.0000   -9.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875  -12.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542  -14.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042  -12.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625  -12.0625    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  2  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  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  2  0  0  0  0
 14  3  1  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 14  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
  5  6  1  0  0  0  0
 12  7  2  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,572)
2852

>  <Formula> (2,572)
C16H16O4

>  <MolWeight> (2,572)
272.29584

>  <PCAT_CMPD_ID> (2,572)
WAY-326212

>  <CNC_ID> (2,572)
359423187

>  <transfer_container_id> (2,572)
PTN000000074

>  <COMPOUND_NUMBER> (2,572)
WAY-326212

>  <BAR_CODE_NO> (2,572)
301213

>  <LOCATION_CODE> (2,572)
PTNCS

>  <AMOUNT_CURRENT> (2,572)
32.5

$$$$
WAY-326228
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.2458   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -5.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2500   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -6.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -6.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9375   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -3.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2125   -8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -7.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2792   -4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9292   -7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9792   -2.9542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -9.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6542   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -1.5667    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
   -2.9750    0.8458    0.0000 C   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
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4 18  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  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10 21  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  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  8  2  0  0  0  0
 24  8  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
 14 11  1  0  0  0  0
 25 27  2  0  0  0  0
 22 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,573)
2853

>  <Formula> (2,573)
C21H25BrN2O3

>  <MolWeight> (2,573)
433.3388

>  <PCAT_CMPD_ID> (2,573)
WAY-326228

>  <CNC_ID> (2,573)
359423202

>  <transfer_container_id> (2,573)
PTN000000074

>  <COMPOUND_NUMBER> (2,573)
WAY-326228

>  <BAR_CODE_NO> (2,573)
301229

>  <LOCATION_CODE> (2,573)
PTNCS

>  <AMOUNT_CURRENT> (2,573)
32.5

$$$$
WAY-326232
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.8965    0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035    0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -0.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171    0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035   -1.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171   -1.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344    0.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7035    2.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068    2.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829   -2.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344   -0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758    0.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344    2.6654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6139   -1.3242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    1.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9758   -1.4242    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344    3.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9447    2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -1.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0035   -2.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3553   -2.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725   -3.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7449   -3.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  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
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 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
  5  7  1  0  0  0  0
  9 15  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,574)
2854

>  <Formula> (2,574)
C21H30BrN3O3

>  <MolWeight> (2,574)
452.3852

>  <PCAT_CMPD_ID> (2,574)
WAY-326232

>  <CNC_ID> (2,574)
359423206

>  <transfer_container_id> (2,574)
PTN000000074

>  <COMPOUND_NUMBER> (2,574)
WAY-326232

>  <BAR_CODE_NO> (2,574)
301233

>  <LOCATION_CODE> (2,574)
PTNCS

>  <AMOUNT_CURRENT> (2,574)
32.5

$$$$
WAY-326257
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.7792   -4.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -7.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875   -5.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -8.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125   -2.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -6.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7500   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5917   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.0167    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  5  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  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  8  2  0  0  0  0
 16  8  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 11  1  0  0  0  0
 21 19  1  0  0  0  0
  2  5  1  0  0  0  0
 19 17  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,575)
2855

>  <Formula> (2,575)
C15H13N3O2S

>  <MolWeight> (2,575)
299.34762

>  <PCAT_CMPD_ID> (2,575)
WAY-326257

>  <CNC_ID> (2,575)
359423231

>  <transfer_container_id> (2,575)
PTN000000074

>  <COMPOUND_NUMBER> (2,575)
WAY-326257

>  <BAR_CODE_NO> (2,575)
301258

>  <LOCATION_CODE> (2,575)
PTNCS

>  <AMOUNT_CURRENT> (2,575)
32.5

$$$$
WAY-326258
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.3250   -5.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -5.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2750   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -9.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4167   -6.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -8.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.4167    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  5  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  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15 19  2  0  0  0  0
 16  8  2  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 10  1  0  0  0  0
 21 15  1  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
  2  5  1  0  0  0  0
 15 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,576)
2856

>  <Formula> (2,576)
C16H15N3O4S

>  <MolWeight> (2,576)
345.373

>  <PCAT_CMPD_ID> (2,576)
WAY-326258

>  <CNC_ID> (2,576)
359423232

>  <transfer_container_id> (2,576)
PTN000000074

>  <COMPOUND_NUMBER> (2,576)
WAY-326258

>  <BAR_CODE_NO> (2,576)
301259

>  <LOCATION_CODE> (2,576)
PTNCS

>  <AMOUNT_CURRENT> (2,576)
32.5

$$$$
WAY-326260
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   12.6917   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -7.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -3.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500   -4.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500   -9.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0667   -6.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5625    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  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  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  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,577)
2857

>  <Formula> (2,577)
C8H9N3O3S2

>  <MolWeight> (2,577)
259.30536

>  <PCAT_CMPD_ID> (2,577)
WAY-326260

>  <CNC_ID> (2,577)
359423234

>  <transfer_container_id> (2,577)
PTN000000074

>  <COMPOUND_NUMBER> (2,577)
WAY-326260

>  <BAR_CODE_NO> (2,577)
301261

>  <LOCATION_CODE> (2,577)
PTNCS

>  <AMOUNT_CURRENT> (2,577)
32.5

$$$$
WAY-326261
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   12.3167   -6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -5.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -6.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625   -8.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -5.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -4.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792  -10.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -7.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875  -10.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9250   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5042   -6.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -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  5  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  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  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  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
 14 15  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,578)
2858

>  <Formula> (2,578)
C13H11N3O3S2

>  <MolWeight> (2,578)
321.37474

>  <PCAT_CMPD_ID> (2,578)
WAY-326261

>  <CNC_ID> (2,578)
359423235

>  <transfer_container_id> (2,578)
PTN000000074

>  <COMPOUND_NUMBER> (2,578)
WAY-326261

>  <BAR_CODE_NO> (2,578)
301262

>  <LOCATION_CODE> (2,578)
PTNCS

>  <AMOUNT_CURRENT> (2,578)
32.5

$$$$
WAY-326273-A
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.0384    1.1322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4402    1.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795    2.4681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6131    2.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7393    3.2968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538    4.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9857    4.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832    2.8994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2094    2.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    6.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6254    3.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2689    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106    7.0049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    2.3902    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975    4.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463    6.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5009    4.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2497    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5816    2.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8248    4.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8732    3.7560    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  8  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  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 10  1  0  0  0  0
 14 11  1  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  9  1  0  0  0  0
 19  9  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  1  0  0  0  0
 17 15  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,579)
2859

>  <Formula> (2,579)
C15H13ClFN5

>  <MolWeight> (2,579)
317.7486232

>  <PCAT_CMPD_ID> (2,579)
WAY-326273-A

>  <CNC_ID> (2,579)
359423247

>  <transfer_container_id> (2,579)
PTN000000074

>  <COMPOUND_NUMBER> (2,579)
WAY-326273-A

>  <BAR_CODE_NO> (2,579)
301274

>  <LOCATION_CODE> (2,579)
PTNCS

>  <AMOUNT_CURRENT> (2,579)
32.5

$$$$
WAY-326285
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.0667   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -5.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5375   -4.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4625   -3.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667   -3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6292   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -5.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6250   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1875   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.6917    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  3  2  0  0  0  0
  5  2  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 14  1  0  0  0  0
 11 10  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  2  0  0  0  0
 16  9  1  0  0  0  0
 17  3  1  0  0  0  0
 18 11  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 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
  8  6  1  0  0  0  0
 10 12  1  0  0  0  0
  9  5  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,580)
2860

>  <Formula> (2,580)
C18H19N3O3S

>  <MolWeight> (2,580)
357.42676

>  <PCAT_CMPD_ID> (2,580)
WAY-326285

>  <CNC_ID> (2,580)
359423259

>  <transfer_container_id> (2,580)
PTN000000074

>  <COMPOUND_NUMBER> (2,580)
WAY-326285

>  <BAR_CODE_NO> (2,580)
301286

>  <LOCATION_CODE> (2,580)
PTNCS

>  <AMOUNT_CURRENT> (2,580)
32.5

$$$$
WAY-326316
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    9.8042   -5.7750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8292   -4.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5000   -5.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8042   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -8.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -6.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -8.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792   -4.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3125   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0292   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375   -8.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -5.0250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1000   -7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6125   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.4792    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  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  7  1  0  0  0  0
 10  5  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  8  2  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 24  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 15  1  0  0  0  0
 27 15  2  0  0  0  0
 28 17  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
  2  3  1  0  0  0  0
  9  6  1  0  0  0  0
 18 25  1  0  0  0  0
 20 19  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,581)
2861

>  <Formula> (2,581)
C24H22BrNO5

>  <MolWeight> (2,581)
484.33918

>  <PCAT_CMPD_ID> (2,581)
WAY-326316

>  <CNC_ID> (2,581)
359423290

>  <transfer_container_id> (2,581)
PTN000000074

>  <COMPOUND_NUMBER> (2,581)
WAY-326316

>  <BAR_CODE_NO> (2,581)
301317

>  <LOCATION_CODE> (2,581)
PTNCS

>  <AMOUNT_CURRENT> (2,581)
32.5

$$$$
WAY-326335
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.5000    8.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740    7.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2651    6.6689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1627    8.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4048    7.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4866    9.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7610    6.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6848    4.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8152    2.8204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217    9.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   10.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4434    4.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6661   10.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5737    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9978    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9499    0.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5127    0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1095   11.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747   11.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045   12.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7545   13.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3911   13.6036    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  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14 19  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 18  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 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
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,582)
2862

>  <Formula> (2,582)
C19H22N2O3S

>  <MolWeight> (2,582)
358.45458

>  <PCAT_CMPD_ID> (2,582)
WAY-326335

>  <CNC_ID> (2,582)
359423309

>  <transfer_container_id> (2,582)
PTN000000074

>  <COMPOUND_NUMBER> (2,582)
WAY-326335

>  <BAR_CODE_NO> (2,582)
301336

>  <LOCATION_CODE> (2,582)
PTNCS

>  <AMOUNT_CURRENT> (2,582)
32.5

$$$$
WAY-326413
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3792   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -2.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -1.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -4.9125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -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  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7 11  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  5  2  0  0  0  0
 11 14  2  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  5  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
  3  6  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,583)
2863

>  <Formula> (2,583)
C12H11ClN2O3

>  <MolWeight> (2,583)
266.68034

>  <PCAT_CMPD_ID> (2,583)
WAY-326413

>  <CNC_ID> (2,583)
359423382

>  <transfer_container_id> (2,583)
PTN000000074

>  <COMPOUND_NUMBER> (2,583)
WAY-326413

>  <BAR_CODE_NO> (2,583)
301414

>  <LOCATION_CODE> (2,583)
PTNCS

>  <AMOUNT_CURRENT> (2,583)
32.5

$$$$
WAY-326423
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0625   12.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   11.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4292   10.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   13.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   10.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750    9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4292    6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333    8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   15.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   13.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   12.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   14.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    7.2417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   15.6625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5292   11.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9917    6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4000    4.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9250    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1417    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  1  1  0  0  0  0
  4  9  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  1  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  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14 15  1  0  0  0  0
 15  2  1  0  0  0  0
 16 18  2  0  0  0  0
 17 10  1  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  4  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
 16 19  1  0  0  0  0
 21  5  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,584)
2864

>  <Formula> (2,584)
C18H20BrFN2O2S

>  <MolWeight> (2,584)
427.3310032

>  <PCAT_CMPD_ID> (2,584)
WAY-326423

>  <CNC_ID> (2,584)
359423392

>  <transfer_container_id> (2,584)
PTN000000074

>  <COMPOUND_NUMBER> (2,584)
WAY-326423

>  <BAR_CODE_NO> (2,584)
301424

>  <LOCATION_CODE> (2,584)
PTNCS

>  <AMOUNT_CURRENT> (2,584)
32.5

$$$$
WAY-326424
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.0625   12.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   11.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   13.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   13.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   10.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4292   10.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    9.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750    9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333    8.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   15.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1750    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2417   13.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3375    6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2833   12.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   14.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2792    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   12.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   15.6625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4750    3.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5292   11.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8292    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8625    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9917    3.0708    0.0000 C   0  0  0  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  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  3  2  0  0  0  0
 12  8  1  0  0  0  0
 13 15  1  0  0  0  0
 14 12  2  0  0  0  0
 15  2  1  0  0  0  0
 16 18  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  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 13  1  0  0  0  0
 23 24  2  0  0  0  0
 24 12  1  0  0  0  0
 25 23  1  0  0  0  0
 16 19  1  0  0  0  0
 22  6  1  0  0  0  0
 25 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,585)
2865

>  <Formula> (2,585)
C18H20BrFN2O2S

>  <MolWeight> (2,585)
427.3310032

>  <PCAT_CMPD_ID> (2,585)
WAY-326424

>  <CNC_ID> (2,585)
359423393

>  <transfer_container_id> (2,585)
PTN000000074

>  <COMPOUND_NUMBER> (2,585)
WAY-326424

>  <BAR_CODE_NO> (2,585)
301425

>  <LOCATION_CODE> (2,585)
PTNCS

>  <AMOUNT_CURRENT> (2,585)
32.5

$$$$
WAY-326434
csChFnd80/11182011152D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.3458   12.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   11.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   12.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2125    7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   10.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   13.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4542   10.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5625    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6042    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7833    9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9042    6.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9125    4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8125    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2125    9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5458    6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7458    8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   11.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   15.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1167    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5417    0.0208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667   13.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958   12.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1792    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250   14.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5625   12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7542   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   15.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8500   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   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  1  1  0  0  0  0
  4 14  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  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 19  1  0  0  0  0
 14  7  1  0  0  0  0
 15  4  2  0  0  0  0
 16 10  1  0  0  0  0
 17  3  2  0  0  0  0
 18  3  1  0  0  0  0
 19 23  2  0  0  0  0
 20  8  1  0  0  0  0
 21 22  1  0  0  0  0
 22  2  1  0  0  0  0
 23 12  1  0  0  0  0
 24 25  1  0  0  0  0
 25 18  2  0  0  0  0
 26 17  1  0  0  0  0
 27 21  1  0  0  0  0
 28 13  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
 26 24  2  0  0  0  0
 27  7  1  0  0  0  0
 13  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,586)
2866

>  <Formula> (2,586)
C21H26ClN3O5S

>  <MolWeight> (2,586)
467.96624

>  <PCAT_CMPD_ID> (2,586)
WAY-326434

>  <CNC_ID> (2,586)
359423403

>  <transfer_container_id> (2,586)
PTN000000074

>  <COMPOUND_NUMBER> (2,586)
WAY-326434

>  <BAR_CODE_NO> (2,586)
301435

>  <LOCATION_CODE> (2,586)
PTNCS

>  <AMOUNT_CURRENT> (2,586)
32.5

$$$$
WAY-326443
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.5208   12.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   11.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1417    7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   12.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8292    6.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   13.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   10.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042   10.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    9.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8292    4.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1417    9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4625    6.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6167    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833    8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   15.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2125   13.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   12.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   14.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3292    4.0167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   12.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   15.6625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5042   11.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0500    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5917    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9542    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8167   -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 11  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  1  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  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  4  1  0  0  0  0
 17 18  1  0  0  0  0
 18  2  1  0  0  0  0
 19 21  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 19  1  0  0  0  0
 24 17  1  0  0  0  0
 25 10  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
 22 19  2  0  0  0  0
 24  8  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,587)
2867

>  <Formula> (2,587)
C19H21BrFN3O3S

>  <MolWeight> (2,587)
470.3557432

>  <PCAT_CMPD_ID> (2,587)
WAY-326443

>  <CNC_ID> (2,587)
359423412

>  <transfer_container_id> (2,587)
PTN000000074

>  <COMPOUND_NUMBER> (2,587)
WAY-326443

>  <BAR_CODE_NO> (2,587)
301444

>  <LOCATION_CODE> (2,587)
PTNCS

>  <AMOUNT_CURRENT> (2,587)
32.5

$$$$
WAY-326469
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.1667   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -7.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042   -6.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042  -10.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917  -11.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292  -10.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3042  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -9.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917  -10.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250  -12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7125  -13.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8625  -11.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542   -6.3125    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
   14.8625  -14.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -13.5542    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  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  2  0  0  0  0
  9 13  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 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18  8  1  0  0  0  0
 19 16  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
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
  5  7  1  0  0  0  0
 18 22  2  0  0  0  0
 14  9  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,588)
2868

>  <Formula> (2,588)
C19H18N4O2

>  <MolWeight> (2,588)
334.37182

>  <PCAT_CMPD_ID> (2,588)
WAY-326469

>  <CNC_ID> (2,588)
359423438

>  <transfer_container_id> (2,588)
PTN000000074

>  <COMPOUND_NUMBER> (2,588)
WAY-326469

>  <BAR_CODE_NO> (2,588)
301470

>  <LOCATION_CODE> (2,588)
PTNCS

>  <AMOUNT_CURRENT> (2,588)
32.5

$$$$
WAY-326492
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.5875   -6.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5875   -7.9292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2792   -8.6792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2917   -5.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5625  -10.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8750   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375   -7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500  -10.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917  -10.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250  -10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4250   -8.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375  -10.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7042  -10.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -3.5000    0.0000 O   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
   14.7292   -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  2  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  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  5  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  8  2  0  0  0  0
 16  5  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  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
 24 17  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 19 17  2  0  0  0  0
  6  3  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,589)
2869

>  <Formula> (2,589)
C20H21NO5

>  <MolWeight> (2,589)
355.38444

>  <PCAT_CMPD_ID> (2,589)
WAY-326492

>  <CNC_ID> (2,589)
359423459

>  <transfer_container_id> (2,589)
PTN000000074

>  <COMPOUND_NUMBER> (2,589)
WAY-326492

>  <BAR_CODE_NO> (2,589)
301493

>  <LOCATION_CODE> (2,589)
PTNCS

>  <AMOUNT_CURRENT> (2,589)
32.5

$$$$
WAY-326619
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
    5.7375   -3.0542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8917   -3.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6292   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -5.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -3.9542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0417   -3.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9125   -2.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -1.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7375   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   -6.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -4.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -5.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -2.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500   -0.4292    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
    3.6375   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    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  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  1  1  0  0  0  0
  8  5  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 11  2  0  0  0  0
 13  9  1  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 13  1  0  0  0  0
 19 18  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 21  1  0  0  0  0
 24 25  2  0  0  0  0
 25 18  1  0  0  0  0
 26 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 20  1  0  0  0  0
 29 22  1  0  0  0  0
 30 22  1  0  0  0  0
 31 28  1  0  0  0  0
 32 30  1  0  0  0  0
 33 29  1  0  0  0  0
 34 32  1  0  0  0  0
 12 10  1  0  0  0  0
 10  6  1  0  0  0  0
  3  4  1  0  0  0  0
 34 33  1  0  0  0  0
 21 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,590)
2870

>  <Formula> (2,590)
C26H33N3O5

>  <MolWeight> (2,590)
467.55732

>  <PCAT_CMPD_ID> (2,590)
WAY-326619

>  <CNC_ID> (2,590)
359423586

>  <transfer_container_id> (2,590)
PTN000000074

>  <COMPOUND_NUMBER> (2,590)
WAY-326619

>  <BAR_CODE_NO> (2,590)
301620

>  <LOCATION_CODE> (2,590)
PTNCS

>  <AMOUNT_CURRENT> (2,590)
32.5

$$$$
WAY-326625
csChFnd80/11182011152D

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.0417   -9.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0917  -10.3375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1625  -10.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6250  -11.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042  -11.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -9.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8250  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -8.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000  -10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   -8.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0417   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -8.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -7.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -9.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792  -12.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -7.8792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9667  -11.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000  -11.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875  -12.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5375   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -6.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7625   -8.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0042   -8.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417  -13.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667  -12.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -5.6375    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
    5.0042  -14.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -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  3  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  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  5  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  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 26  2  0  0  0  0
 26 20  1  0  0  0  0
 27 16  1  0  0  0  0
 28 25  1  0  0  0  0
 29 19  1  0  0  0  0
 30 22  1  0  0  0  0
 31 19  1  0  0  0  0
 32 22  1  0  0  0  0
 33 24  1  0  0  0  0
 34 29  1  0  0  0  0
 35 27  1  0  0  0  0
 36 35  1  0  0  0  0
 13 10  1  0  0  0  0
 10  6  1  0  0  0  0
  5  4  1  0  0  0  0
 32 36  1  0  0  0  0
 23 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,591)
2871

>  <Formula> (2,591)
C28H37N3O5

>  <MolWeight> (2,591)
495.61048

>  <PCAT_CMPD_ID> (2,591)
WAY-326625

>  <CNC_ID> (2,591)
359423592

>  <transfer_container_id> (2,591)
PTN000000074

>  <COMPOUND_NUMBER> (2,591)
WAY-326625

>  <BAR_CODE_NO> (2,591)
301626

>  <LOCATION_CODE> (2,591)
PTNCS

>  <AMOUNT_CURRENT> (2,591)
32.5

$$$$
WAY-326733
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    5.9125   -0.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    3.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2792    2.6625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3125    0.6708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3875   -0.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9667   -1.8750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8292    1.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2917    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -3.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5917   -2.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750   -1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6292   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1542   -7.3167    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
   13.4667   -7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -8.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1542  -10.2292    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  9  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  7  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  9  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  2  0  0  0  0
 17 20  1  0  0  0  0
 18 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 14  2  0  0  0  0
 22 17  2  0  0  0  0
 23 18  1  0  0  0  0
 24 18  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 28  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
 12 11  2  0  0  0  0
  4 10  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,592)
2872

>  <Formula> (2,592)
C22H21NO6

>  <MolWeight> (2,592)
395.40524

>  <PCAT_CMPD_ID> (2,592)
WAY-326733

>  <CNC_ID> (2,592)
359423699

>  <transfer_container_id> (2,592)
PTN000000074

>  <COMPOUND_NUMBER> (2,592)
WAY-326733

>  <BAR_CODE_NO> (2,592)
301734

>  <LOCATION_CODE> (2,592)
PTNCS

>  <AMOUNT_CURRENT> (2,592)
32.5

$$$$
WAY-326753
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.8667   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -6.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -7.8792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4625   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -8.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1292   -9.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -7.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4625   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -9.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -5.6792    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
   15.9917   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292   -9.3500    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  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6 14  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  6  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 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  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 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  3  1  0  0  0  0
 23 24  1  0  0  0  0
  6  4  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,593)
2873

>  <Formula> (2,593)
C19H22N2O3

>  <MolWeight> (2,593)
326.38958

>  <PCAT_CMPD_ID> (2,593)
WAY-326753

>  <CNC_ID> (2,593)
359423719

>  <transfer_container_id> (2,593)
PTN000000074

>  <COMPOUND_NUMBER> (2,593)
WAY-326753

>  <BAR_CODE_NO> (2,593)
301754

>  <LOCATION_CODE> (2,593)
PTNCS

>  <AMOUNT_CURRENT> (2,593)
32.5

$$$$
WAY-326758
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.7625    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -0.8917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9625   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -7.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    3.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250  -10.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125  -10.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917    3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11  1  2  0  0  0  0
 12  5  1  0  0  0  0
 13 19  1  0  0  0  0
 14  8  1  0  0  0  0
 15  2  1  0  0  0  0
 16  6  2  0  0  0  0
 17 10  2  0  0  0  0
 18 20  2  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 12  1  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
  5  8  2  0  0  0  0
 28 27  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,594)
2874

>  <Formula> (2,594)
C20H21N3O5

>  <MolWeight> (2,594)
383.39784

>  <PCAT_CMPD_ID> (2,594)
WAY-326758

>  <CNC_ID> (2,594)
359423724

>  <transfer_container_id> (2,594)
PTN000000074

>  <COMPOUND_NUMBER> (2,594)
WAY-326758

>  <BAR_CODE_NO> (2,594)
301759

>  <LOCATION_CODE> (2,594)
PTNCS

>  <AMOUNT_CURRENT> (2,594)
32.5

$$$$
WAY-326762
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.5667    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542    0.6458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8917    0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500    3.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -5.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    4.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -8.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.5333    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  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13  5  1  0  0  0  0
 14 21  1  0  0  0  0
 15  8  1  0  0  0  0
 16  6  2  0  0  0  0
 17 10  2  0  0  0  0
 18 22  2  0  0  0  0
 19 11  1  0  0  0  0
 20 11  2  0  0  0  0
 21  6  1  0  0  0  0
 22  9  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 10  1  0  0  0  0
 27 13  1  0  0  0  0
 28 15  1  0  0  0  0
 29 25  1  0  0  0  0
  5  8  2  0  0  0  0
 25 24  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,595)
2875

>  <Formula> (2,595)
C21H23N3O5

>  <MolWeight> (2,595)
397.42442

>  <PCAT_CMPD_ID> (2,595)
WAY-326762

>  <CNC_ID> (2,595)
359423728

>  <transfer_container_id> (2,595)
PTN000000074

>  <COMPOUND_NUMBER> (2,595)
WAY-326762

>  <BAR_CODE_NO> (2,595)
301763

>  <LOCATION_CODE> (2,595)
PTNCS

>  <AMOUNT_CURRENT> (2,595)
32.5

$$$$
WAY-326774
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.4375   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -8.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7542   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   -8.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9375   -8.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9917   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417   -8.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -6.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0042  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125  -10.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2417  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4250  -10.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -6.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0292  -11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792  -12.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875  -12.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3250   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9500  -13.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -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  4  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  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  3  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
 18 25  2  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
 22 15  1  0  0  0  0
 23 15  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 21  1  0  0  0  0
 28 26  1  0  0  0  0
 18 24  1  0  0  0  0
 20 21  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,596)
2876

>  <Formula> (2,596)
C22H22N2O3S

>  <MolWeight> (2,596)
394.48668

>  <PCAT_CMPD_ID> (2,596)
WAY-326774

>  <CNC_ID> (2,596)
359423740

>  <transfer_container_id> (2,596)
PTN000000074

>  <COMPOUND_NUMBER> (2,596)
WAY-326774

>  <BAR_CODE_NO> (2,596)
301775

>  <LOCATION_CODE> (2,596)
PTNCS

>  <AMOUNT_CURRENT> (2,596)
32.5

$$$$
WAY-326794
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.6638    6.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5190    5.5711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    5.6477    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6285    7.6487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8814    4.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714    6.3664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    3.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6835    3.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9344    1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3604    4.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7051    2.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1480    2.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9403    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3065    5.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714    7.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527    5.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016    3.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353    3.4326    0.0000 C   0  0  0  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  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9 11  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  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  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 18  1  0  0  0  0
  9 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,597)
2877

>  <Formula> (2,597)
C16H23ClN2O

>  <MolWeight> (2,597)
294.81962

>  <PCAT_CMPD_ID> (2,597)
WAY-326794

>  <CNC_ID> (2,597)
359423760

>  <transfer_container_id> (2,597)
PTN000000074

>  <COMPOUND_NUMBER> (2,597)
WAY-326794

>  <BAR_CODE_NO> (2,597)
301795

>  <LOCATION_CODE> (2,597)
PTNCS

>  <AMOUNT_CURRENT> (2,597)
32.5

$$$$
WAY-326847
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -7.6542    9.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.2792   11.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6583   12.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2625    9.8792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.5875    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0292    9.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0292   11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0042    5.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1917    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833    9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6792   13.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2292    5.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3833    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9792    4.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7875    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1917    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3833    3.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7875    5.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8708    7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    9.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958   12.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6000    4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3792    9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    9.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4042   12.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    6.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6000    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    7.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7583    9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7792   11.4292    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  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  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9 15  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 17  1  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 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21  2  1  0  0  0  0
 22  9  1  0  0  0  0
 23 26  1  0  0  0  0
 24  6  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27  7  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
 31 24  2  0  0  0  0
 32 31  1  0  0  0  0
 33 29  1  0  0  0  0
  3  2  1  0  0  0  0
 32 27  2  0  0  0  0
 15 18  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,598)
2878

>  <Formula> (2,598)
C26H30N2O5

>  <MolWeight> (2,598)
450.5268

>  <PCAT_CMPD_ID> (2,598)
WAY-326847

>  <CNC_ID> (2,598)
359423813

>  <transfer_container_id> (2,598)
PTN000000074

>  <COMPOUND_NUMBER> (2,598)
WAY-326847

>  <BAR_CODE_NO> (2,598)
301848

>  <LOCATION_CODE> (2,598)
PTNCS

>  <AMOUNT_CURRENT> (2,598)
32.5

$$$$
WAY-326928
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -4.1083    5.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    6.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.1083    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5042    5.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208    8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5042    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1625   11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5042    9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3500   13.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9875   11.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1875   14.6292    0.0000 O   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
   -7.5042    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    9.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0542   10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    8.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4792   13.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2500   10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2667    8.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1958    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4375   11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    5.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    8.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1958    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    8.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8917    5.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8917    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   11.2417    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  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 18  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12 21  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  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18 22  2  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 26  2  0  0  0  0
 22 23  1  0  0  0  0
 23 10  1  0  0  0  0
 24  4  2  0  0  0  0
 25 28  2  0  0  0  0
 26 22  1  0  0  0  0
 27 19  2  0  0  0  0
 28 20  1  0  0  0  0
 29  7  2  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
 33 29  1  0  0  0  0
 34 31  1  0  0  0  0
 27 25  1  0  0  0  0
  4  7  1  0  0  0  0
 32 33  2  0  0  0  0
 12  9  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,599)
2879

>  <Formula> (2,599)
C25H23N3O6

>  <MolWeight> (2,599)
461.46662

>  <PCAT_CMPD_ID> (2,599)
WAY-326928

>  <CNC_ID> (2,599)
359423894

>  <transfer_container_id> (2,599)
PTN000000074

>  <COMPOUND_NUMBER> (2,599)
WAY-326928

>  <BAR_CODE_NO> (2,599)
301929

>  <LOCATION_CODE> (2,599)
PTNCS

>  <AMOUNT_CURRENT> (2,599)
32.5

$$$$
WAY-327022
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.4125   -2.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -5.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -5.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -2.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8625   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167    0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    2.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    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  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
  5  4  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,600)
2880

>  <Formula> (2,600)
C12H13N3O2S

>  <MolWeight> (2,600)
263.31552

>  <PCAT_CMPD_ID> (2,600)
WAY-327022

>  <CNC_ID> (2,600)
359423986

>  <transfer_container_id> (2,600)
PTN000000074

>  <COMPOUND_NUMBER> (2,600)
WAY-327022

>  <BAR_CODE_NO> (2,600)
302023

>  <LOCATION_CODE> (2,600)
PTNCS

>  <AMOUNT_CURRENT> (2,600)
32.5

$$$$
WAY-327073
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -7.7667    8.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.3417    9.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.3417   10.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7792    6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083    8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7667   11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2292    6.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2292    9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083   11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3417    6.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2292   10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125    6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    6.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7667   13.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083   13.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    9.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   14.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    5.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2292    4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6667    6.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   14.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   10.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0917    6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6667    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0917    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  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  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  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15 17  2  0  0  0  0
 16  6  2  0  0  0  0
 17 14  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  2  0  0  0  0
 20 22  2  0  0  0  0
 21 11  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  2  0  0  0  0
 24 15  1  0  0  0  0
 25  7  1  0  0  0  0
 26  7  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  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 25  1  0  0  0  0
 33 31  1  0  0  0  0
  6  3  1  0  0  0  0
 33 32  1  0  0  0  0
 15 11  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,601)
2881

>  <Formula> (2,601)
C26H32N2O5

>  <MolWeight> (2,601)
452.54268

>  <PCAT_CMPD_ID> (2,601)
WAY-327073

>  <CNC_ID> (2,601)
359424037

>  <transfer_container_id> (2,601)
PTN000000074

>  <COMPOUND_NUMBER> (2,601)
WAY-327073

>  <BAR_CODE_NO> (2,601)
302074

>  <LOCATION_CODE> (2,601)
PTNCS

>  <AMOUNT_CURRENT> (2,601)
32.5

$$$$
WAY-327106
csChFnd80/11182011152D

 35 39  0  0  0  0  0  0  0  0999 V2000
   -7.2542    7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2542    6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2542   11.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6417    5.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6583    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583   10.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3792    3.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6417   10.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583    8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2542   12.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8708    5.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6417    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0167    6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4000    5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9917    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1292    3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6417   13.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4000   15.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6417   15.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0042   12.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4000   13.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0042   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1292    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0292    7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7750   15.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0292   11.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5125    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500    6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1542   15.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4250    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4250   10.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1042    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5042    1.5208    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  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  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 11  2  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 17  1  0  0  0  0
 25  5  2  0  0  0  0
 26 19  1  0  0  0  0
 27  8  2  0  0  0  0
 28 11  1  0  0  0  0
 29 17  1  0  0  0  0
 30 24  1  0  0  0  0
 31 26  1  0  0  0  0
 32 25  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  8  1  0  0  0  0
 27 33  1  0  0  0  0
  7 16  1  0  0  0  0
 19 23  2  0  0  0  0
 29 35  2  0  0  0  0
M  END
>  <Mol_ID> (2,602)
2882

>  <Formula> (2,602)
C28H28N4O3

>  <MolWeight> (2,602)
468.54692

>  <PCAT_CMPD_ID> (2,602)
WAY-327106

>  <CNC_ID> (2,602)
359424070

>  <transfer_container_id> (2,602)
PTN000000074

>  <COMPOUND_NUMBER> (2,602)
WAY-327106

>  <BAR_CODE_NO> (2,602)
302107

>  <LOCATION_CODE> (2,602)
PTNCS

>  <AMOUNT_CURRENT> (2,602)
32.5

$$$$
WAY-327114
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4234   -0.3594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5443   -0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6994   -1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955    1.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1380   -0.7945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482   -2.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1057   -0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6404    2.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6033   -3.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2608   -1.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7659    1.6412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8916    3.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0096   -3.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718    4.2673    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    5.0546    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429    3.2628    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2360   -1.4032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9848    0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0809   -2.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6423   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785    0.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746   -1.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1 22  1  0  0  0  0
  2  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  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
  8 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
 13 17  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  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
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23  1  1  0  0  0  0
M  END
>  <Mol_ID> (2,603)
2883

>  <Formula> (2,603)
C16H17F3N4

>  <MolWeight> (2,603)
322.3281896

>  <PCAT_CMPD_ID> (2,603)
WAY-327114

>  <CNC_ID> (2,603)
359424078

>  <transfer_container_id> (2,603)
PTN000000074

>  <COMPOUND_NUMBER> (2,603)
WAY-327114

>  <BAR_CODE_NO> (2,603)
302115

>  <LOCATION_CODE> (2,603)
PTNCS

>  <AMOUNT_CURRENT> (2,603)
32.5

$$$$
WAY-327214
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
  -10.0167    8.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500   11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    8.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4125   10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   11.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6958    4.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500   13.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    7.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8833    7.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7542    9.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9875    6.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250   13.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2292    7.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   14.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   16.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -11.8833    5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7375    8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0042    4.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0042    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1542    1.2333    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  2  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  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  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 18  1  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 18  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 22  1  0  0  0  0
 24 23  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,604)
2884

>  <Formula> (2,604)
C17H23BrN2O3S

>  <MolWeight> (2,604)
415.34512

>  <PCAT_CMPD_ID> (2,604)
WAY-327214

>  <CNC_ID> (2,604)
359424178

>  <transfer_container_id> (2,604)
PTN000000074

>  <COMPOUND_NUMBER> (2,604)
WAY-327214

>  <BAR_CODE_NO> (2,604)
302215

>  <LOCATION_CODE> (2,604)
PTNCS

>  <AMOUNT_CURRENT> (2,604)
32.5

$$$$
WAY-327233
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -8.3792    7.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    6.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8792    6.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    6.6292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.6208    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958   10.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3292    5.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7750    8.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4417    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875   10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   11.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4167    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8792    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9125    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9042    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4167    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4417    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125   13.2125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3583    5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9292    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9292   -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  2  2  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  4  1  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  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18 22  1  0  0  0  0
 19  8  2  0  0  0  0
 20 13  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
 25  7  1  0  0  0  0
 26  8  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 21 18  1  0  0  0  0
 14  6  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,605)
2885

>  <Formula> (2,605)
C19H25BrN2O5S

>  <MolWeight> (2,605)
473.3812

>  <PCAT_CMPD_ID> (2,605)
WAY-327233

>  <CNC_ID> (2,605)
359424197

>  <transfer_container_id> (2,605)
PTN000000074

>  <COMPOUND_NUMBER> (2,605)
WAY-327233

>  <BAR_CODE_NO> (2,605)
302234

>  <LOCATION_CODE> (2,605)
PTNCS

>  <AMOUNT_CURRENT> (2,605)
32.5

$$$$
WAY-327354
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.0708   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -3.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7458   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875  -10.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5125  -11.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250  -14.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8667   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8667   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1125  -13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0292  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3792  -15.5167    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  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 12  1  0  0  0  0
 11 10  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  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18 11  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 17  1  0  0  0  0
 23 18  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
  5  4  2  0  0  0  0
 20 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,606)
2886

>  <Formula> (2,606)
C22H21N3O

>  <MolWeight> (2,606)
343.42164

>  <PCAT_CMPD_ID> (2,606)
WAY-327354

>  <CNC_ID> (2,606)
359424318

>  <transfer_container_id> (2,606)
PTN000000074

>  <COMPOUND_NUMBER> (2,606)
WAY-327354

>  <BAR_CODE_NO> (2,606)
302355

>  <LOCATION_CODE> (2,606)
PTNCS

>  <AMOUNT_CURRENT> (2,606)
32.5

$$$$
WAY-327383
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -7.6042    8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0292    9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0292   10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1875    9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6042    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6042   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2042   10.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0042    5.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4042    8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7875    4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4292   11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8125    9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8167   10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1917    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1875    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6042   13.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1875    5.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0042    4.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4042    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7917    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3833    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5750    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833   11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1917    8.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2167   11.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5750   -0.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -14.6000    4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    3.3333    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
  -13.1917    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6167   10.6917    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  7  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 20  1  0  0  0  0
 11  3  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 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  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 15  2  0  0  0  0
 23  7  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  1  0  0  0  0
 27 14  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
  6  3  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 29 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,607)
2887

>  <Formula> (2,607)
C23H24ClN3O4

>  <MolWeight> (2,607)
441.90736

>  <PCAT_CMPD_ID> (2,607)
WAY-327383

>  <CNC_ID> (2,607)
359424347

>  <transfer_container_id> (2,607)
PTN000000074

>  <COMPOUND_NUMBER> (2,607)
WAY-327383

>  <BAR_CODE_NO> (2,607)
302384

>  <LOCATION_CODE> (2,607)
PTNCS

>  <AMOUNT_CURRENT> (2,607)
32.5

$$$$
WAY-327420
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.9042   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250   -6.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -5.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -6.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9417   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625   -6.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042   -4.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -3.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8792   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -5.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9792   -4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -8.1167    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
    4.7750   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8292   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -9.2917    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  5  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  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 19  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  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 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 21  1  0  0  0  0
 16 14  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,608)
2888

>  <Formula> (2,608)
C20H31N3O2

>  <MolWeight> (2,608)
345.47904

>  <PCAT_CMPD_ID> (2,608)
WAY-327420

>  <CNC_ID> (2,608)
359424384

>  <transfer_container_id> (2,608)
PTN000000074

>  <COMPOUND_NUMBER> (2,608)
WAY-327420

>  <BAR_CODE_NO> (2,608)
302421

>  <LOCATION_CODE> (2,608)
PTNCS

>  <AMOUNT_CURRENT> (2,608)
32.5

$$$$
WAY-327436
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.8667   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -4.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -0.9250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2375   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -2.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -5.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -5.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792    1.1458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167    4.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417  -10.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2542    5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458  -10.7125    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  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  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  9  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  3  2  0  0  0  0
 15  5  1  0  0  0  0
 16  9  2  0  0  0  0
 17 13  2  0  0  0  0
 18  7  1  0  0  0  0
 19  4  1  0  0  0  0
 20  6  1  0  0  0  0
 21 17  1  0  0  0  0
 22 11  2  0  0  0  0
 23 13  1  0  0  0  0
 24 12  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28 22  1  0  0  0  0
 29 23  2  0  0  0  0
 30 24  1  0  0  0  0
 31 25  2  0  0  0  0
 32 26  1  0  0  0  0
 33 29  1  0  0  0  0
 34 32  2  0  0  0  0
  4  5  1  0  0  0  0
 27 33  2  0  0  0  0
 11 12  1  0  0  0  0
 31 34  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,609)
2889

>  <Formula> (2,609)
C27H21ClN2O4

>  <MolWeight> (2,609)
472.91964

>  <PCAT_CMPD_ID> (2,609)
WAY-327436

>  <CNC_ID> (2,609)
359424398

>  <transfer_container_id> (2,609)
PTN000000074

>  <COMPOUND_NUMBER> (2,609)
WAY-327436

>  <BAR_CODE_NO> (2,609)
302437

>  <LOCATION_CODE> (2,609)
PTNCS

>  <AMOUNT_CURRENT> (2,609)
32.5

$$$$
WAY-327446
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.3417  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -9.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -9.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250  -12.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4375   -6.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125  -12.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -7.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667  -14.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167  -14.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -6.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667  -16.0000    0.0000 C   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
    8.9792  -15.8292    0.0000 C   0  0  0  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  4  1  0  0  0  0
  9  8  3  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  7  1  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 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
 22 17  1  0  0  0  0
  4  5  2  0  0  0  0
 20 22  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,610)
2890

>  <Formula> (2,610)
C17H18N4O

>  <MolWeight> (2,610)
294.35102

>  <PCAT_CMPD_ID> (2,610)
WAY-327446

>  <CNC_ID> (2,610)
359424408

>  <transfer_container_id> (2,610)
PTN000000074

>  <COMPOUND_NUMBER> (2,610)
WAY-327446

>  <BAR_CODE_NO> (2,610)
302447

>  <LOCATION_CODE> (2,610)
PTNCS

>  <AMOUNT_CURRENT> (2,610)
32.5

$$$$
WAY-327447
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.4542   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -8.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -8.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417  -11.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -2.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167  -11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500  -11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -6.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292  -13.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000  -13.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917  -14.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2125   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792   -4.5417    0.0000 C   0  0  0  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  4  1  0  0  0  0
  9  8  3  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  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 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
  4  5  2  0  0  0  0
 16 15  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,611)
2891

>  <Formula> (2,611)
C17H18N4O

>  <MolWeight> (2,611)
294.35102

>  <PCAT_CMPD_ID> (2,611)
WAY-327447

>  <CNC_ID> (2,611)
359424409

>  <transfer_container_id> (2,611)
PTN000000074

>  <COMPOUND_NUMBER> (2,611)
WAY-327447

>  <BAR_CODE_NO> (2,611)
302448

>  <LOCATION_CODE> (2,611)
PTNCS

>  <AMOUNT_CURRENT> (2,611)
32.5

$$$$
WAY-327494
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.9667    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875    3.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -3.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -5.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667    7.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250  -10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    5.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042  -12.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.8583    0.0000 C   0  0  0  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  7  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 20  1  0  0  0  0
 11  3  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 14  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  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 15  2  0  0  0  0
 23  7  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 22  1  0  0  0  0
 27 14  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 23  1  0  0  0  0
  6  3  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 29 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,612)
2892

>  <Formula> (2,612)
C24H26ClN3O4

>  <MolWeight> (2,612)
455.93394

>  <PCAT_CMPD_ID> (2,612)
WAY-327494

>  <CNC_ID> (2,612)
359424455

>  <transfer_container_id> (2,612)
PTN000000074

>  <COMPOUND_NUMBER> (2,612)
WAY-327494

>  <BAR_CODE_NO> (2,612)
302495

>  <LOCATION_CODE> (2,612)
PTNCS

>  <AMOUNT_CURRENT> (2,612)
32.5

$$$$
WAY-327551
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.4353    6.5029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    5.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0336    5.2290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    5.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755    6.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    6.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3609    5.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875    7.1629    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0878    6.0424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2928    6.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0025    7.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4815    5.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6190    7.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    7.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5512    5.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2481    6.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1537    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  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 13  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  2  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 15  2  0  0  0  0
 18 17  1  0  0  0  0
  7  3  1  0  0  0  0
 18 16  2  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,613)
2893

>  <Formula> (2,613)
C13H11N3OS

>  <MolWeight> (2,613)
257.31094

>  <PCAT_CMPD_ID> (2,613)
WAY-327551

>  <CNC_ID> (2,613)
359424512

>  <transfer_container_id> (2,613)
PTN000000074

>  <COMPOUND_NUMBER> (2,613)
WAY-327551

>  <BAR_CODE_NO> (2,613)
302552

>  <LOCATION_CODE> (2,613)
PTNCS

>  <AMOUNT_CURRENT> (2,613)
32.5

$$$$
WAY-327565
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5789    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1358    3.5645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537    1.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7369    3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3112    2.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2694    2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9422    2.7825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9126    1.8246    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5822    1.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2817    3.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6154    2.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7964    4.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362    1.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2406    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    1.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6384    3.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    4.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9700    3.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2662    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2828    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4776    0.0000    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  2  1  0  0  0  0
  5  3  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 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  8  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 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  3  1  0  0  0  0
  5  4  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,614)
2894

>  <Formula> (2,614)
C17H17N3O

>  <MolWeight> (2,614)
279.33638

>  <PCAT_CMPD_ID> (2,614)
WAY-327565

>  <CNC_ID> (2,614)
359424526

>  <transfer_container_id> (2,614)
PTN000000074

>  <COMPOUND_NUMBER> (2,614)
WAY-327565

>  <BAR_CODE_NO> (2,614)
302566

>  <LOCATION_CODE> (2,614)
PTNCS

>  <AMOUNT_CURRENT> (2,614)
32.5

$$$$
WAY-327607
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.5894    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5108    4.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0314    2.9060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339    3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2307    1.2694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5405    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9590    5.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4477    3.0561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3922    3.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6857    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1909    4.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3270    2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8180    4.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8206    3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    2.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667    4.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6335    4.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0716    6.2987    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 12  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  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  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  9  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 17  1  0  0  0  0
 21 19  1  0  0  0  0
 15 20  1  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,615)
2895

>  <Formula> (2,615)
C16H22N2O3

>  <MolWeight> (2,615)
290.35748

>  <PCAT_CMPD_ID> (2,615)
WAY-327607

>  <CNC_ID> (2,615)
359424568

>  <transfer_container_id> (2,615)
PTN000000074

>  <COMPOUND_NUMBER> (2,615)
WAY-327607

>  <BAR_CODE_NO> (2,615)
302608

>  <LOCATION_CODE> (2,615)
PTNCS

>  <AMOUNT_CURRENT> (2,615)
32.5

$$$$
WAY-327642
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -7.7542    6.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3667    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7542    2.6083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0167    5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0167    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708    9.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333   11.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0042    8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   14.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   14.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958    4.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    7.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   10.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   12.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0542    6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   13.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0542    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7875   15.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   15.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1417    5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1417    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  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  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  2  2  0  0  0  0
 13  6  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 10  1  0  0  0  0
 18  4  2  0  0  0  0
 19 15  1  0  0  0  0
 20  5  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  2  0  0  0  0
  3  5  1  0  0  0  0
 20 24  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,616)
2896

>  <Formula> (2,616)
C17H16N2O4S

>  <MolWeight> (2,616)
344.38494

>  <PCAT_CMPD_ID> (2,616)
WAY-327642

>  <CNC_ID> (2,616)
359424604

>  <transfer_container_id> (2,616)
PTN000000074

>  <COMPOUND_NUMBER> (2,616)
WAY-327642

>  <BAR_CODE_NO> (2,616)
302643

>  <LOCATION_CODE> (2,616)
PTNCS

>  <AMOUNT_CURRENT> (2,616)
32.5

$$$$
WAY-327662
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.7738    5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6083    6.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    5.4938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738    7.3502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    6.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2236    3.7107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    6.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8209    5.0704    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    4.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2260    1.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2702    2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    7.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9050    1.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7986    7.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    0.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1847    5.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1359    6.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1902    3.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6261    3.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    1.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4947    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6927    4.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0580    4.5779    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  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  3  1  0  0  0  0
 11 14  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 16  1  0  0  0  0
 15  7  2  0  0  0  0
 16 24  1  0  0  0  0
 17  9  1  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  8  2  0  0  0  0
 22 14  1  0  0  0  0
 23 26  1  0  0  0  0
 24  8  1  0  0  0  0
 25 11  1  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
  4  5  2  0  0  0  0
 13 19  2  0  0  0  0
 17 20  2  0  0  0  0
 23 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,617)
2897

>  <Formula> (2,617)
C19H13Cl2N3O2S

>  <MolWeight> (2,617)
418.29642

>  <PCAT_CMPD_ID> (2,617)
WAY-327662

>  <CNC_ID> (2,617)
359424624

>  <transfer_container_id> (2,617)
PTN000000074

>  <COMPOUND_NUMBER> (2,617)
WAY-327662

>  <BAR_CODE_NO> (2,617)
302663

>  <LOCATION_CODE> (2,617)
PTNCS

>  <AMOUNT_CURRENT> (2,617)
32.5

$$$$
WAY-327723
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -3.5875   12.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   13.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   13.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458   13.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9042    9.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    9.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   13.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   14.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   11.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5375    8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   14.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   14.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9042   12.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   12.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9042    9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500   10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    9.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1917    7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   14.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   15.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1917    9.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9042    7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8417    8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8417    8.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1917    6.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   15.6167    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  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7 20  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  1  1  0  0  0  0
 12  7  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  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  2  0  0  0  0
 19  2  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  2  0  0  0  0
 25 15  2  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 12  2  0  0  0  0
 29 15  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 25  1  0  0  0  0
 33 27  1  0  0  0  0
 34 26  1  0  0  0  0
  5  4  1  0  0  0  0
 17 16  2  0  0  0  0
  7 21  1  0  0  0  0
 31 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,618)
2898

>  <Formula> (2,618)
C25H30N4O5

>  <MolWeight> (2,618)
466.5295

>  <PCAT_CMPD_ID> (2,618)
WAY-327723

>  <CNC_ID> (2,618)
359424685

>  <transfer_container_id> (2,618)
PTN000000074

>  <COMPOUND_NUMBER> (2,618)
WAY-327723

>  <BAR_CODE_NO> (2,618)
302724

>  <LOCATION_CODE> (2,618)
PTNCS

>  <AMOUNT_CURRENT> (2,618)
32.5

$$$$
WAY-327783
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.2792   -2.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2792   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -4.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -2.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -2.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -5.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.9917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -7.0917    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  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  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  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  4  2  0  0  0  0
 16  3  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 21  1  0  0  0  0
 20 10  2  0  0  0  0
 21 23  2  0  0  0  0
 22 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  1  0  0  0  0
  2  5  2  0  0  0  0
  9 13  2  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,619)
2899

>  <Formula> (2,619)
C15H11F2N3O3S

>  <MolWeight> (2,619)
351.3279464

>  <PCAT_CMPD_ID> (2,619)
WAY-327783

>  <CNC_ID> (2,619)
359424745

>  <transfer_container_id> (2,619)
PTN000000074

>  <COMPOUND_NUMBER> (2,619)
WAY-327783

>  <BAR_CODE_NO> (2,619)
302784

>  <LOCATION_CODE> (2,619)
PTNCS

>  <AMOUNT_CURRENT> (2,619)
32.5

$$$$
WAY-327788
csChFnd80/11182011152D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.7375   -6.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -4.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -6.4250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750  -11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125  -12.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -9.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -6.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375   -2.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417  -11.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -7.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125  -13.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292  -12.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292   -9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8750  -14.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8000   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -11.5542    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
   12.8000   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9042   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -0.5792    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  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  2  0  0  0  0
 11  1  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 14  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 19 13  2  0  0  0  0
 20 14  2  0  0  0  0
 21 13  1  0  0  0  0
 22 16  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 12  1  0  0  0  0
 27 21  1  0  0  0  0
 28 22  2  0  0  0  0
 29 22  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  2  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
  6  4  1  0  0  0  0
  8  9  2  0  0  0  0
 30 25  2  0  0  0  0
 34 33  2  0  0  0  0
M  END
>  <Mol_ID> (2,620)
2900

>  <Formula> (2,620)
C25H23N3O5S

>  <MolWeight> (2,620)
477.53222

>  <PCAT_CMPD_ID> (2,620)
WAY-327788

>  <CNC_ID> (2,620)
359424750

>  <transfer_container_id> (2,620)
PTN000000074

>  <COMPOUND_NUMBER> (2,620)
WAY-327788

>  <BAR_CODE_NO> (2,620)
302789

>  <LOCATION_CODE> (2,620)
PTNCS

>  <AMOUNT_CURRENT> (2,620)
32.5

$$$$
WAY-327809
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.1042   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1042   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -3.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042    2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125    2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -5.8667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.3333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.8417    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  1  1  0  0  0  0
  8  4  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  2  0  0  0  0
 13 10  1  0  0  0  0
 14  7  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 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
 22 21  1  0  0  0  0
  4  2  1  0  0  0  0
  9 13  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,621)
2901

>  <Formula> (2,621)
C17H11F2NO2

>  <MolWeight> (2,621)
299.2715464

>  <PCAT_CMPD_ID> (2,621)
WAY-327809

>  <CNC_ID> (2,621)
359424771

>  <transfer_container_id> (2,621)
PTN000000074

>  <COMPOUND_NUMBER> (2,621)
WAY-327809

>  <BAR_CODE_NO> (2,621)
302810

>  <LOCATION_CODE> (2,621)
PTNCS

>  <AMOUNT_CURRENT> (2,621)
32.5

$$$$
WAY-327891
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -6.0750   11.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   13.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3167   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0750   14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3167   13.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0750   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625   14.6792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7833   15.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5625    5.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3125    7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3125    9.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5625    7.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5875   11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7917    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3125    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7917    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3125    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5625    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667    7.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0417    2.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0458    2.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0417    1.4708    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  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  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  4  2  0  0  0  0
 16  3  2  0  0  0  0
 17 10  2  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
 21 20  1  0  0  0  0
 22 11  2  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  5  2  2  0  0  0  0
  9 13  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,622)
2902

>  <Formula> (2,622)
C17H17N3O5S

>  <MolWeight> (2,622)
375.39898

>  <PCAT_CMPD_ID> (2,622)
WAY-327891

>  <CNC_ID> (2,622)
359424852

>  <transfer_container_id> (2,622)
PTN000000074

>  <COMPOUND_NUMBER> (2,622)
WAY-327891

>  <BAR_CODE_NO> (2,622)
302892

>  <LOCATION_CODE> (2,622)
PTNCS

>  <AMOUNT_CURRENT> (2,622)
32.5

$$$$
WAY-328080
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -6.1417   10.6292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1542   12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8708   13.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2375    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   14.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9375    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4500   13.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5417    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9375    5.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5417    6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9375   14.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1542    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5417    8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5167   10.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7667   10.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5417    4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    5.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   16.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -12.8292    2.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2375    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6292    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1417    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9375    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6292    0.8958    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  6  2  0  0  0  0
  5  3  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 10  1  0  0  0  0
 10 13  1  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  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  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  6  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
 11  5  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,623)
2903

>  <Formula> (2,623)
C15H14BrNO5S2

>  <MolWeight> (2,623)
432.30936

>  <PCAT_CMPD_ID> (2,623)
WAY-328080

>  <CNC_ID> (2,623)
359425036

>  <transfer_container_id> (2,623)
PTN000000074

>  <COMPOUND_NUMBER> (2,623)
WAY-328080

>  <BAR_CODE_NO> (2,623)
303081

>  <LOCATION_CODE> (2,623)
PTNCS

>  <AMOUNT_CURRENT> (2,623)
32.5

$$$$
WAY-328112
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -6.9833    7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875    8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875    9.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   10.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9625   10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667    8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9833    6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667    9.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    9.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2667    5.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8292    3.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1250    3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9625   12.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7083    5.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5417    6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8375    5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5417    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4125    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1167    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083   11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5417   10.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6917    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3833    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6917    3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    7.5667    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  3  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  6  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 19  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22  4  1  0  0  0  0
 23  8  1  0  0  0  0
 24 26  1  0  0  0  0
 25  9  2  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 10  2  0  0  0  0
 29 24  1  0  0  0  0
 30 29  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  2  0  0  0  0
  5  3  1  0  0  0  0
  4 10  1  0  0  0  0
 12 18  1  0  0  0  0
 32 28  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,624)
2904

>  <Formula> (2,624)
C25H26N4O3

>  <MolWeight> (2,624)
430.49894

>  <PCAT_CMPD_ID> (2,624)
WAY-328112

>  <CNC_ID> (2,624)
359425068

>  <transfer_container_id> (2,624)
PTN000000074

>  <COMPOUND_NUMBER> (2,624)
WAY-328112

>  <BAR_CODE_NO> (2,624)
303113

>  <LOCATION_CODE> (2,624)
PTNCS

>  <AMOUNT_CURRENT> (2,624)
32.5

$$$$
WAY-328116
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -6.9667    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833    8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833    9.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500   10.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9500   10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542    8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9667    6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542    9.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542    5.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8167    3.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4042    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9500   12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6958    5.3750    0.0000 O   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
   -9.5500    6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8292    5.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5417    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3625    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   11.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6917    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5250   10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6917    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    3.8458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8000    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    7.5500    0.0000 C   0  0  0  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  8  1  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  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 21  1  0  0  0  0
 13 12  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 13  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 17  2  0  0  0  0
 23  4  1  0  0  0  0
 24 14  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  2  0  0  0  0
 27 22  1  0  0  0  0
 28 24  1  0  0  0  0
 29 10  2  0  0  0  0
 30 17  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  2  0  0  0  0
  5  3  1  0  0  0  0
  4 10  1  0  0  0  0
 12 20  1  0  0  0  0
 32 29  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,625)
2905

>  <Formula> (2,625)
C25H25ClN4O2

>  <MolWeight> (2,625)
448.9446

>  <PCAT_CMPD_ID> (2,625)
WAY-328116

>  <CNC_ID> (2,625)
359425072

>  <transfer_container_id> (2,625)
PTN000000074

>  <COMPOUND_NUMBER> (2,625)
WAY-328116

>  <BAR_CODE_NO> (2,625)
303117

>  <LOCATION_CODE> (2,625)
PTNCS

>  <AMOUNT_CURRENT> (2,625)
32.5

$$$$
WAY-328117
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -6.9667    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833    8.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833    9.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500   10.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9500   10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542    8.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9667    6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542    9.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583    7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    9.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542    5.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8167    3.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1000    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4042    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9500   12.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6958    5.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2542    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5625    6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5500    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8292    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6917    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   11.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5250   10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    8.9042    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
  -13.4042    5.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3792    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6917    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    3.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    7.5500    0.0000 C   0  0  0  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  8  1  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  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 20  1  0  0  0  0
 13 12  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 11  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 14  1  0  0  0  0
 22  4  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  2  0  0  0  0
 25 10  2  0  0  0  0
 26 13  1  0  0  0  0
 27 14  1  0  0  0  0
 28 26  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 31  2  0  0  0  0
  5  3  1  0  0  0  0
  4 10  1  0  0  0  0
 19 12  1  0  0  0  0
 32 25  1  0  0  0  0
 29 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,626)
2906

>  <Formula> (2,626)
C26H28N4O2

>  <MolWeight> (2,626)
428.52612

>  <PCAT_CMPD_ID> (2,626)
WAY-328117

>  <CNC_ID> (2,626)
359425073

>  <transfer_container_id> (2,626)
PTN000000074

>  <COMPOUND_NUMBER> (2,626)
WAY-328117

>  <BAR_CODE_NO> (2,626)
303118

>  <LOCATION_CODE> (2,626)
PTNCS

>  <AMOUNT_CURRENT> (2,626)
32.5

$$$$
WAY-342295
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.8792   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3250   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9625   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0792   -7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667   -7.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167   -6.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042   -4.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -3.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -4.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8750   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250   -5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375   -8.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5042   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875   -5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1750   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417    0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -6.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    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  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 16  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  4  2  0  0  0  0
 15  9  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18 11  2  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23  3  1  0  0  0  0
 24 11  1  0  0  0  0
 25 27  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  2  0  0  0  0
 17 10  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,627)
2907

>  <Formula> (2,627)
C21H24N4O4S

>  <MolWeight> (2,627)
428.50466

>  <PCAT_CMPD_ID> (2,627)
WAY-342295

>  <CNC_ID> (2,627)
359427196

>  <transfer_container_id> (2,627)
PTN000000074

>  <COMPOUND_NUMBER> (2,627)
WAY-342295

>  <BAR_CODE_NO> (2,627)
90495306

>  <LOCATION_CODE> (2,627)
PTNCS

>  <AMOUNT_CURRENT> (2,627)
32.3

$$$$
WAY-608350
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2958   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -2.5917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.7208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    3.1458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -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  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  8  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  5  1  0  0  0  0
 10  5  2  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  2  0  0  0  0
 15  3  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18  9  2  0  0  0  0
 19 13  1  0  0  0  0
 20 10  1  0  0  0  0
 21 17  1  0  0  0  0
 22  4  1  0  0  0  0
 23  7  1  0  0  0  0
 24 22  2  0  0  0  0
 25 23  2  0  0  0  0
  4  7  2  0  0  0  0
 24 25  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,628)
2908

>  <Formula> (2,628)
C16H9Cl3N2O3S

>  <MolWeight> (2,628)
415.67826

>  <PCAT_CMPD_ID> (2,628)
WAY-608350

>  <CNC_ID> (2,628)
359427828

>  <transfer_container_id> (2,628)
PTN000000074

>  <COMPOUND_NUMBER> (2,628)
WAY-608350

>  <BAR_CODE_NO> (2,628)
90442045

>  <LOCATION_CODE> (2,628)
PTNCS

>  <AMOUNT_CURRENT> (2,628)
32.1

$$$$
WAY-620647
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.9250    2.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6208   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250   -2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667    0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6042   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6833   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1375    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1375    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375   -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  2  2  0  0  0  0
  4  5  2  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  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  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 12  1  0  0  0  0
 22 24  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  2  0  0  0  0
 25 21  2  0  0  0  0
  3  4  1  0  0  0  0
 18 22  2  0  0  0  0
  9 12  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,629)
2909

>  <Formula> (2,629)
C22H20N2O

>  <MolWeight> (2,629)
328.407

>  <PCAT_CMPD_ID> (2,629)
WAY-620647

>  <CNC_ID> (2,629)
359427921

>  <transfer_container_id> (2,629)
PTN000000074

>  <COMPOUND_NUMBER> (2,629)
WAY-620647

>  <BAR_CODE_NO> (2,629)
90454732

>  <LOCATION_CODE> (2,629)
PTNCS

>  <AMOUNT_CURRENT> (2,629)
32.9

$$$$
WAY-607967
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.9000   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -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  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  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  4  2  0  0  0  0
 12 17  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  9  1  0  0  0  0
 17 16  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
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
  6  5  2  0  0  0  0
 22 21  1  0  0  0  0
 12  8  2  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,630)
2910

>  <Formula> (2,630)
C16H13N3O2S

>  <MolWeight> (2,630)
311.35832

>  <PCAT_CMPD_ID> (2,630)
WAY-607967

>  <CNC_ID> (2,630)
359427445

>  <transfer_container_id> (2,630)
PTN000000074

>  <COMPOUND_NUMBER> (2,630)
WAY-607967

>  <BAR_CODE_NO> (2,630)
90441648

>  <LOCATION_CODE> (2,630)
PTNCS

>  <AMOUNT_CURRENT> (2,630)
32

$$$$
WAY-608029
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.9500    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    3.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -3.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    3.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  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 12  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  1  0  0  0  0
 11 21  2  0  0  0  0
 12 24  2  0  0  0  0
 13 19  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  5  2  0  0  0  0
 17  8  2  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 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25  3  1  0  0  0  0
 26  7  1  0  0  0  0
 27 14  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 14 18  1  0  0  0  0
 29 27  2  0  0  0  0
  6  2  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,631)
2911

>  <Formula> (2,631)
C22H19NO6

>  <MolWeight> (2,631)
393.38936

>  <PCAT_CMPD_ID> (2,631)
WAY-608029

>  <CNC_ID> (2,631)
359427507

>  <transfer_container_id> (2,631)
PTN000000074

>  <COMPOUND_NUMBER> (2,631)
WAY-608029

>  <BAR_CODE_NO> (2,631)
90441711

>  <LOCATION_CODE> (2,631)
PTNCS

>  <AMOUNT_CURRENT> (2,631)
32.5

$$$$
WAY-608052
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.7083    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -1.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7667    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -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  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 11  1  0  0  0  0
  8 12  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 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15  2  1  0  0  0  0
 16  9  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19 23  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 20  1  0  0  0  0
 24 16  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  4  2  0  0  0  0
 26 25  1  0  0  0  0
 19  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,632)
2912

>  <Formula> (2,632)
C22H30N2O3

>  <MolWeight> (2,632)
370.4852

>  <PCAT_CMPD_ID> (2,632)
WAY-608052

>  <CNC_ID> (2,632)
359427530

>  <transfer_container_id> (2,632)
PTN000000074

>  <COMPOUND_NUMBER> (2,632)
WAY-608052

>  <BAR_CODE_NO> (2,632)
90441734

>  <LOCATION_CODE> (2,632)
PTNCS

>  <AMOUNT_CURRENT> (2,632)
32.2

$$$$
WAY-608121
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.9583   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -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  2  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  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  5  2  0  0  0  0
 12  2  2  0  0  0  0
 13 18  2  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
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 11  9  1  0  0  0  0
 17 15  2  0  0  0  0
 13  4  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,633)
2913

>  <Formula> (2,633)
C17H16N4S

>  <MolWeight> (2,633)
308.40074

>  <PCAT_CMPD_ID> (2,633)
WAY-608121

>  <CNC_ID> (2,633)
359427599

>  <transfer_container_id> (2,633)
PTN000000074

>  <COMPOUND_NUMBER> (2,633)
WAY-608121

>  <BAR_CODE_NO> (2,633)
90441809

>  <LOCATION_CODE> (2,633)
PTNCS

>  <AMOUNT_CURRENT> (2,633)
32.5

$$$$
WAY-608190
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.1667   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6125    1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8875    0.1458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4542    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    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  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  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  2  1  0  0  0  0
 13  1  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  2  0  0  0  0
 16  3  2  0  0  0  0
 17  4  1  0  0  0  0
 18 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 14  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
 19 21  1  0  0  0  0
  7  5  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,634)
2914

>  <Formula> (2,634)
C17H21NO5

>  <MolWeight> (2,634)
319.35234

>  <PCAT_CMPD_ID> (2,634)
WAY-608190

>  <CNC_ID> (2,634)
359427668

>  <transfer_container_id> (2,634)
PTN000000074

>  <COMPOUND_NUMBER> (2,634)
WAY-608190

>  <BAR_CODE_NO> (2,634)
90441881

>  <LOCATION_CODE> (2,634)
PTNCS

>  <AMOUNT_CURRENT> (2,634)
32.1

$$$$
WAY-608217
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.0125    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -0.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -0.9792    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  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  3  1  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  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  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 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
  4  7  1  0  0  0  0
  6 11  2  0  0  0  0
 13 10  2  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,635)
2915

>  <Formula> (2,635)
C16H14N4O3

>  <MolWeight> (2,635)
310.30736

>  <PCAT_CMPD_ID> (2,635)
WAY-608217

>  <CNC_ID> (2,635)
359427695

>  <transfer_container_id> (2,635)
PTN000000074

>  <COMPOUND_NUMBER> (2,635)
WAY-608217

>  <BAR_CODE_NO> (2,635)
90441909

>  <LOCATION_CODE> (2,635)
PTNCS

>  <AMOUNT_CURRENT> (2,635)
32.2

$$$$
WAY-608219
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.1967    0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384    0.3039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616   -0.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -0.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8884   -1.0961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616    1.0747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0551   -1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6384    0.8747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1884   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616    0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3467    0.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116   -1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616   -0.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616    1.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533   -1.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949    0.8247    0.0000 C   0  0  0  0  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  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  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  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  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
 11 10  1  0  0  0  0
  5  4  1  0  0  0  0
  9 12  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,636)
2916

>  <Formula> (2,636)
C14H13N5

>  <MolWeight> (2,636)
251.28652

>  <PCAT_CMPD_ID> (2,636)
WAY-608219

>  <CNC_ID> (2,636)
359427697

>  <transfer_container_id> (2,636)
PTN000000074

>  <COMPOUND_NUMBER> (2,636)
WAY-608219

>  <BAR_CODE_NO> (2,636)
90441911

>  <LOCATION_CODE> (2,636)
PTNCS

>  <AMOUNT_CURRENT> (2,636)
32.9

$$$$
WAY-608280
csChFnd80/11182011152D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0568    0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162    0.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0568   -0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698    0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -0.8610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0888    0.0270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698    0.9360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402   -0.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    0.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0888   -0.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6288    0.3030    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
  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> (2,637)
2917

>  <Formula> (2,637)
C9H9N3OS

>  <MolWeight> (2,637)
207.25226

>  <PCAT_CMPD_ID> (2,637)
WAY-608280

>  <CNC_ID> (2,637)
359427758

>  <transfer_container_id> (2,637)
PTN000000074

>  <COMPOUND_NUMBER> (2,637)
WAY-608280

>  <BAR_CODE_NO> (2,637)
90441973

>  <LOCATION_CODE> (2,637)
PTNCS

>  <AMOUNT_CURRENT> (2,637)
32.8

$$$$
WAY-620768
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.3750    1.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -2.3958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.9125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4125    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    1.1667    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
   -0.8958    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833   -1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667    3.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0667   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.7125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.4708    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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15  7  2  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 15  1  0  0  0  0
 20  2  1  0  0  0  0
 21 15  1  0  0  0  0
 22 12  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
  3 11  1  0  0  0  0
 26 27  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,638)
2918

>  <Formula> (2,638)
C19H19ClN2O4S

>  <MolWeight> (2,638)
406.88316

>  <PCAT_CMPD_ID> (2,638)
WAY-620768

>  <CNC_ID> (2,638)
359428042

>  <transfer_container_id> (2,638)
PTN000000074

>  <COMPOUND_NUMBER> (2,638)
WAY-620768

>  <BAR_CODE_NO> (2,638)
90454858

>  <LOCATION_CODE> (2,638)
PTNCS

>  <AMOUNT_CURRENT> (2,638)
32.8

$$$$
WAY-620820
csChFnd80/11182011152D

 34 39  0  0  0  0  0  0  0  0999 V2000
    0.6833    1.0208    0.0000 C   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
   -0.7458    1.0208    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
   -0.7458    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4708    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -0.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4708   -0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -3.5167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -3.9292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7250    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -3.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    2.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333    3.6292    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  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  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12 15  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 21  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 19 12  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 10  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 14  1  0  0  0  0
 28 18  1  0  0  0  0
 29 18  2  0  0  0  0
 30 26  2  0  0  0  0
 31 30  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
  9  7  2  0  0  0  0
  8  5  1  0  0  0  0
 33 34  1  0  0  0  0
 14 11  1  0  0  0  0
 20 15  1  0  0  0  0
 27 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,639)
2919

>  <Formula> (2,639)
C25H18N6O3

>  <MolWeight> (2,639)
450.44882

>  <PCAT_CMPD_ID> (2,639)
WAY-620820

>  <CNC_ID> (2,639)
359428094

>  <transfer_container_id> (2,639)
PTN000000074

>  <COMPOUND_NUMBER> (2,639)
WAY-620820

>  <BAR_CODE_NO> (2,639)
90454910

>  <LOCATION_CODE> (2,639)
PTNCS

>  <AMOUNT_CURRENT> (2,639)
32.8

$$$$
WAY-620841
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.0417   -1.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.7917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -2.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -3.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7583    3.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5958    3.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500   -3.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0625   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625    4.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.3500    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
    2.5667    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    4.1833    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
   -0.4917   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0583    4.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042   -4.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -4.7458    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  3  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 20  1  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  4  2  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  2  0  0  0  0
 18 27  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23 15  1  0  0  0  0
 24  6  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 21  1  0  0  0  0
 29 16  1  0  0  0  0
 30 16  1  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
  6  5  1  0  0  0  0
 30 32  1  0  0  0  0
 19 10  2  0  0  0  0
 28 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,640)
2920

>  <Formula> (2,640)
C21H28N4O6S

>  <MolWeight> (2,640)
464.53522

>  <PCAT_CMPD_ID> (2,640)
WAY-620841

>  <CNC_ID> (2,640)
359428115

>  <transfer_container_id> (2,640)
PTN000000074

>  <COMPOUND_NUMBER> (2,640)
WAY-620841

>  <BAR_CODE_NO> (2,640)
90454932

>  <LOCATION_CODE> (2,640)
PTNCS

>  <AMOUNT_CURRENT> (2,640)
32

$$$$
WAY-621064
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1042   -0.4125    0.0000 C   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
    1.8167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.4125    0.0000 N   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
   -1.0417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.8250    0.0000 O   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
   -1.7542    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9583   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9583   -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  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 14  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  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  3  1  0  0  0  0
 14 15  2  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 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
 21 22  2  0  0  0  0
  4  7  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,641)
2921

>  <Formula> (2,641)
C17H15NO4

>  <MolWeight> (2,641)
297.3053

>  <PCAT_CMPD_ID> (2,641)
WAY-621064

>  <CNC_ID> (2,641)
359428338

>  <transfer_container_id> (2,641)
PTN000000074

>  <COMPOUND_NUMBER> (2,641)
WAY-621064

>  <BAR_CODE_NO> (2,641)
90455162

>  <LOCATION_CODE> (2,641)
PTNCS

>  <AMOUNT_CURRENT> (2,641)
32.9

$$$$
WAY-621159
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.1333   -2.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.3750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -3.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    2.6125    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 14  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  2  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 16  2  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  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 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 17 14  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,642)
2922

>  <Formula> (2,642)
C16H18N2O4S2

>  <MolWeight> (2,642)
366.45512

>  <PCAT_CMPD_ID> (2,642)
WAY-621159

>  <CNC_ID> (2,642)
359428433

>  <transfer_container_id> (2,642)
PTN000000074

>  <COMPOUND_NUMBER> (2,642)
WAY-621159

>  <BAR_CODE_NO> (2,642)
90455262

>  <LOCATION_CODE> (2,642)
PTNCS

>  <AMOUNT_CURRENT> (2,642)
32.8

$$$$
WAY-621289
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.2380    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2346    1.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277    0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    0.2067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5139    1.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173    1.5377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8104    0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5035    0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1001    0.0377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3277    0.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6171    0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309    0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6206    1.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0447    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0447   -1.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585    0.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585   -0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -2.0381    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.4723   -1.2105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -2.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585   -2.4519    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  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
 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
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,643)
2923

>  <Formula> (2,643)
C15H10ClN3O3S

>  <MolWeight> (2,643)
347.7762

>  <PCAT_CMPD_ID> (2,643)
WAY-621289

>  <CNC_ID> (2,643)
359428562

>  <transfer_container_id> (2,643)
PTN000000074

>  <COMPOUND_NUMBER> (2,643)
WAY-621289

>  <BAR_CODE_NO> (2,643)
90455402

>  <LOCATION_CODE> (2,643)
PTNCS

>  <AMOUNT_CURRENT> (2,643)
32.7

$$$$
WAY-621316
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.3125   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6917    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958    0.2375    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
   -3.4750   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8833   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  4  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  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10 14  2  0  0  0  0
 11  1  1  0  0  0  0
 12  3  2  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17  1  1  0  0  0  0
 18 11  1  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
 19 21  1  0  0  0  0
  2  5  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,644)
2924

>  <Formula> (2,644)
C16H22N2O3

>  <MolWeight> (2,644)
290.35748

>  <PCAT_CMPD_ID> (2,644)
WAY-621316

>  <CNC_ID> (2,644)
359428589

>  <transfer_container_id> (2,644)
PTN000000074

>  <COMPOUND_NUMBER> (2,644)
WAY-621316

>  <BAR_CODE_NO> (2,644)
90455430

>  <LOCATION_CODE> (2,644)
PTNCS

>  <AMOUNT_CURRENT> (2,644)
32.4

$$$$
WAY-621339
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167    1.4000    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
   -0.5167   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958    2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -1.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2333    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -2.3125    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
   -1.9458    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -3.1375    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  1  1  0  0  0  0
  5  2  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  2  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  7  1  0  0  0  0
 14 12  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
 18 14  1  0  0  0  0
  5  6  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,645)
2925

>  <Formula> (2,645)
C13H15N3O2

>  <MolWeight> (2,645)
245.2771

>  <PCAT_CMPD_ID> (2,645)
WAY-621339

>  <CNC_ID> (2,645)
359428612

>  <transfer_container_id> (2,645)
PTN000000074

>  <COMPOUND_NUMBER> (2,645)
WAY-621339

>  <BAR_CODE_NO> (2,645)
90455453

>  <LOCATION_CODE> (2,645)
PTNCS

>  <AMOUNT_CURRENT> (2,645)
32.2

$$$$
WAY-621480
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.8167    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167    2.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292    2.1583    0.0000 C   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
   -0.3875    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7583   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7583   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -1.1417    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
   -3.9583    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.3792    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  1  2  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  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  2  0  0  0  0
 14 16  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  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  5  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 24  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
  4  2  1  0  0  0  0
 19 23  2  0  0  0  0
 11 14  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,646)
2926

>  <Formula> (2,646)
C21H17N3O2

>  <MolWeight> (2,646)
343.37858

>  <PCAT_CMPD_ID> (2,646)
WAY-621480

>  <CNC_ID> (2,646)
359428753

>  <transfer_container_id> (2,646)
PTN000000074

>  <COMPOUND_NUMBER> (2,646)
WAY-621480

>  <BAR_CODE_NO> (2,646)
90455594

>  <LOCATION_CODE> (2,646)
PTNCS

>  <AMOUNT_CURRENT> (2,646)
32.9

$$$$
WAY-621502-A
csChFnd80/11182011152D

 18 20  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
    3.8208   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333   -2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.0458    0.0000 C   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
    3.8208   -2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -2.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.8708    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  3  1  0  0  0  0
  7  4  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 10  2  0  0  0  0
 12  5  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 12  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 14 12  1  0  0  0  0
 16 18  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,647)
2927

>  <Formula> (2,647)
C13H13N3OS

>  <MolWeight> (2,647)
259.32682

>  <PCAT_CMPD_ID> (2,647)
WAY-621502-A

>  <CNC_ID> (2,647)
359428775

>  <transfer_container_id> (2,647)
PTN000000074

>  <COMPOUND_NUMBER> (2,647)
WAY-621502-A

>  <BAR_CODE_NO> (2,647)
90455616

>  <LOCATION_CODE> (2,647)
PTNCS

>  <AMOUNT_CURRENT> (2,647)
32.9

$$$$
WAY-621567
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1125   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.6583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292   -0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292   -1.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292    1.6417    0.0000 O   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
   -2.0167    2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    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  1  2  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  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  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  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 11  1  0  0  0  0
 20  3  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  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 24  1  0  0  0  0
  4  5  2  0  0  0  0
 12  8  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,648)
2928

>  <Formula> (2,648)
C19H17NO5S

>  <MolWeight> (2,648)
371.40698

>  <PCAT_CMPD_ID> (2,648)
WAY-621567

>  <CNC_ID> (2,648)
359428840

>  <transfer_container_id> (2,648)
PTN000000074

>  <COMPOUND_NUMBER> (2,648)
WAY-621567

>  <BAR_CODE_NO> (2,648)
90455687

>  <LOCATION_CODE> (2,648)
PTNCS

>  <AMOUNT_CURRENT> (2,648)
32.5

$$$$
WAY-621736
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.0500   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -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 11  1  0  0  0  0
  4  5  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  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  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 16  2  0  0  0  0
 15  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18  6  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 21  1  0  0  0  0
 18 19  1  0  0  0  0
 14  4  1  0  0  0  0
M  END
>  <Mol_ID> (2,649)
2929

>  <Formula> (2,649)
C16H18O6

>  <MolWeight> (2,649)
306.31052

>  <PCAT_CMPD_ID> (2,649)
WAY-621736

>  <CNC_ID> (2,649)
359429009

>  <transfer_container_id> (2,649)
PTN000000074

>  <COMPOUND_NUMBER> (2,649)
WAY-621736

>  <BAR_CODE_NO> (2,649)
90455859

>  <LOCATION_CODE> (2,649)
PTNCS

>  <AMOUNT_CURRENT> (2,649)
32.4

$$$$
WAY-621762-A
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.2167    1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    2.6583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7208    2.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5375    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3333   -1.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0708   -1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917   -4.2208    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  1  1  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 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  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  2  1  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 14  1  0  0  0  0
  2  6  1  0  0  0  0
  5  9  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,650)
2930

>  <Formula> (2,650)
C20H31NO2

>  <MolWeight> (2,650)
317.46564

>  <PCAT_CMPD_ID> (2,650)
WAY-621762-A

>  <CNC_ID> (2,650)
359429035

>  <transfer_container_id> (2,650)
PTN000000074

>  <COMPOUND_NUMBER> (2,650)
WAY-621762-A

>  <BAR_CODE_NO> (2,650)
90455885

>  <LOCATION_CODE> (2,650)
PTNCS

>  <AMOUNT_CURRENT> (2,650)
32.4

$$$$
WAY-621948
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.4792   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.5917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6375   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1292    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1292    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    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  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 11  2  0  0  0  0
  9  5  2  0  0  0  0
 10  9  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  2  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  2  0  0  0  0
 17 18  1  0  0  0  0
 18 15  1  0  0  0  0
 19  9  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 21  2  0  0  0  0
 24 22  2  0  0  0  0
  6  4  1  0  0  0  0
  8 10  1  0  0  0  0
 13 17  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,651)
2931

>  <Formula> (2,651)
C18H19N3O3

>  <MolWeight> (2,651)
325.36176

>  <PCAT_CMPD_ID> (2,651)
WAY-621948

>  <CNC_ID> (2,651)
359429221

>  <transfer_container_id> (2,651)
PTN000000074

>  <COMPOUND_NUMBER> (2,651)
WAY-621948

>  <BAR_CODE_NO> (2,651)
90456075

>  <LOCATION_CODE> (2,651)
PTNCS

>  <AMOUNT_CURRENT> (2,651)
32.7

$$$$
WAY-622028
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.0167   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -3.4292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708   -4.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    3.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417    4.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167    0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -4.8792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1792    3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    4.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    4.3208    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  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  1  2  0  0  0  0
  9  3  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 19  1  0  0  0  0
 14 12  2  0  0  0  0
 15 22  1  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 16  1  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 21  1  0  0  0  0
 23 20  1  0  0  0  0
  7  4  1  0  0  0  0
  6 11  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,652)
2932

>  <Formula> (2,652)
C15H18BrN3O2S2

>  <MolWeight> (2,652)
416.35632

>  <PCAT_CMPD_ID> (2,652)
WAY-622028

>  <CNC_ID> (2,652)
359429301

>  <transfer_container_id> (2,652)
PTN000000074

>  <COMPOUND_NUMBER> (2,652)
WAY-622028

>  <BAR_CODE_NO> (2,652)
90456166

>  <LOCATION_CODE> (2,652)
PTNCS

>  <AMOUNT_CURRENT> (2,652)
32.8

$$$$
WAY-622030
csChFnd80/11182011152D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.5208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  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  5  2  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
 10  6  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,653)
2933

>  <Formula> (2,653)
C8H10N4

>  <MolWeight> (2,653)
162.1918

>  <PCAT_CMPD_ID> (2,653)
WAY-622030

>  <CNC_ID> (2,653)
359429303

>  <transfer_container_id> (2,653)
PTN000000074

>  <COMPOUND_NUMBER> (2,653)
WAY-622030

>  <BAR_CODE_NO> (2,653)
90456168

>  <LOCATION_CODE> (2,653)
PTNCS

>  <AMOUNT_CURRENT> (2,653)
32.6

$$$$
WAY-622080
csChFnd80/11182011152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0167   -1.9708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.6375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7292    1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -0.8917    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
    0.0583    1.5458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7292    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  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 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
  9  7  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,654)
2934

>  <Formula> (2,654)
C9H17NO3S

>  <MolWeight> (2,654)
219.30118

>  <PCAT_CMPD_ID> (2,654)
WAY-622080

>  <CNC_ID> (2,654)
359429353

>  <transfer_container_id> (2,654)
PTN000000074

>  <COMPOUND_NUMBER> (2,654)
WAY-622080

>  <BAR_CODE_NO> (2,654)
90456220

>  <LOCATION_CODE> (2,654)
PTNCS

>  <AMOUNT_CURRENT> (2,654)
32.4

$$$$
WAY-622125
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.0125    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.4833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2958   -1.0708    0.0000 C   0  0  0  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
    1.1292   -1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583   -1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1542    1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1542    2.2292    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  2  0  0  0  0
  5  9  1  0  0  0  0
  6  4  1  0  0  0  0
  7 11  2  0  0  0  0
  8  3  1  0  0  0  0
  9 10  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  3  2  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 18  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22 17  1  0  0  0  0
 23  4  1  0  0  0  0
 24  6  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
  6  2  2  0  0  0  0
 24 29  2  0  0  0  0
 17 19  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,655)
2935

>  <Formula> (2,655)
C23H25N3O3

>  <MolWeight> (2,655)
391.4629

>  <PCAT_CMPD_ID> (2,655)
WAY-622125

>  <CNC_ID> (2,655)
359429398

>  <transfer_container_id> (2,655)
PTN000000074

>  <COMPOUND_NUMBER> (2,655)
WAY-622125

>  <BAR_CODE_NO> (2,655)
90456265

>  <LOCATION_CODE> (2,655)
PTNCS

>  <AMOUNT_CURRENT> (2,655)
32.5

$$$$
WAY-622139
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.9042    1.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1917    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4208    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333   -1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -0.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -3.5250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208   -3.5250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -4.3750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8958    1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.3708    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
   -3.3208    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0375    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0375    2.2583    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 13  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 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10  5  2  0  0  0  0
 11  2  1  0  0  0  0
 12  1  2  0  0  0  0
 13 12  1  0  0  0  0
 14 23  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  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  3  1  0  0  0  0
 22 27  1  0  0  0  0
 23 16  1  0  0  0  0
 24  7  1  0  0  0  0
 25  7  1  0  0  0  0
 26 10  1  0  0  0  0
 27 25  1  0  0  0  0
 28 24  1  0  0  0  0
 29 13  1  0  0  0  0
 30 12  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 10  4  1  0  0  0  0
 29 32  2  0  0  0  0
 15 17  2  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,656)
2936

>  <Formula> (2,656)
C22H21F3N4O3

>  <MolWeight> (2,656)
446.4223496

>  <PCAT_CMPD_ID> (2,656)
WAY-622139

>  <CNC_ID> (2,656)
359429412

>  <transfer_container_id> (2,656)
PTN000000074

>  <COMPOUND_NUMBER> (2,656)
WAY-622139

>  <BAR_CODE_NO> (2,656)
90456279

>  <LOCATION_CODE> (2,656)
PTNCS

>  <AMOUNT_CURRENT> (2,656)
32.2

$$$$
WAY-622152
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4458   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042    1.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    0.6833    0.0000 C   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
   -1.7333    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833    1.0958    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  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  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  2  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 17  1  0  0  0  0
 20  6  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  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  5  2  0  0  0  0
 18 19  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,657)
2937

>  <Formula> (2,657)
C18H23N5O2S

>  <MolWeight> (2,657)
373.47252

>  <PCAT_CMPD_ID> (2,657)
WAY-622152

>  <CNC_ID> (2,657)
359429425

>  <transfer_container_id> (2,657)
PTN000000074

>  <COMPOUND_NUMBER> (2,657)
WAY-622152

>  <BAR_CODE_NO> (2,657)
90456293

>  <LOCATION_CODE> (2,657)
PTNCS

>  <AMOUNT_CURRENT> (2,657)
32.8

$$$$
WAY-622187
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0708    2.9333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    3.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -1.6042    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
   -0.1000   -2.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1875    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7167    3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    2.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583   -2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9917    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083    4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    5.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167   -3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -4.5708    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  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 17  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  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  2  1  0  0  0  0
 21  2  1  0  0  0  0
 22 10  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  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 23  2  0  0  0  0
 29 27  2  0  0  0  0
 18 17  2  0  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,658)
2938

>  <Formula> (2,658)
C21H25N3O4S

>  <MolWeight> (2,658)
415.5059

>  <PCAT_CMPD_ID> (2,658)
WAY-622187

>  <CNC_ID> (2,658)
359429460

>  <transfer_container_id> (2,658)
PTN000000074

>  <COMPOUND_NUMBER> (2,658)
WAY-622187

>  <BAR_CODE_NO> (2,658)
90456328

>  <LOCATION_CODE> (2,658)
PTNCS

>  <AMOUNT_CURRENT> (2,658)
32.5

$$$$
WAY-622270
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.4875    1.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.4208    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
    0.3375    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    0.2292    0.0000 O   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
    0.2250    3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9167    3.5292    0.0000 C   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
    1.5958   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  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  3  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 11  1  0  0  0  0
 16  2  1  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  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 17  1  0  0  0  0
 26 19  2  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 29  1  0  0  0  0
 31 28  1  0  0  0  0
 14  7  1  0  0  0  0
 13 21  1  0  0  0  0
 22 27  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,659)
2939

>  <Formula> (2,659)
C24H30N2O4S

>  <MolWeight> (2,659)
442.571

>  <PCAT_CMPD_ID> (2,659)
WAY-622270

>  <CNC_ID> (2,659)
359429543

>  <transfer_container_id> (2,659)
PTN000000074

>  <COMPOUND_NUMBER> (2,659)
WAY-622270

>  <BAR_CODE_NO> (2,659)
90456412

>  <LOCATION_CODE> (2,659)
PTNCS

>  <AMOUNT_CURRENT> (2,659)
32.8

$$$$
WAY-622290
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.4500   -1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6083   -2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708    1.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958   -0.3542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1208   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583   -0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    2.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625    3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -3.5417    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  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  2  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  1  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  2  0  0  0  0
 15 16  1  0  0  0  0
 16 13  2  0  0  0  0
 17 23  1  0  0  0  0
 18 15  1  0  0  0  0
 19  3  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  2  0  0  0  0
 24  9  1  0  0  0  0
 25 14  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
  8 14  1  0  0  0  0
  7  5  2  0  0  0  0
 27 26  1  0  0  0  0
 15 17  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,660)
2940

>  <Formula> (2,660)
C17H11N5O4S

>  <MolWeight> (2,660)
381.36534

>  <PCAT_CMPD_ID> (2,660)
WAY-622290

>  <CNC_ID> (2,660)
359429563

>  <transfer_container_id> (2,660)
PTN000000074

>  <COMPOUND_NUMBER> (2,660)
WAY-622290

>  <BAR_CODE_NO> (2,660)
90456432

>  <LOCATION_CODE> (2,660)
PTNCS

>  <AMOUNT_CURRENT> (2,660)
32.3

$$$$
WAY-639535
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0542   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.3125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6583   -0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -0.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -3.4000    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
   -1.3708   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    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  1  0  0  0  0
  4  2  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 13  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13 11  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  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  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 19  2  0  0  0  0
 12  9  1  0  0  0  0
 24 20  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,661)
2941

>  <Formula> (2,661)
C21H20N2O

>  <MolWeight> (2,661)
316.3963

>  <PCAT_CMPD_ID> (2,661)
WAY-639535

>  <CNC_ID> (2,661)
359429586

>  <transfer_container_id> (2,661)
PTN000000074

>  <COMPOUND_NUMBER> (2,661)
WAY-639535

>  <BAR_CODE_NO> (2,661)
90474052

>  <LOCATION_CODE> (2,661)
PTNCS

>  <AMOUNT_CURRENT> (2,661)
32.6

$$$$
WAY-639561
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.0708    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -2.9542    0.0000 C   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
  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  3  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  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 20  1  0  0  0  0
 16  6  2  0  0  0  0
 17 10  2  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
  7  3  2  0  0  0  0
 14 19  2  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,662)
2942

>  <Formula> (2,662)
C17H16N2OS2

>  <MolWeight> (2,662)
328.45174

>  <PCAT_CMPD_ID> (2,662)
WAY-639561

>  <CNC_ID> (2,662)
359429612

>  <transfer_container_id> (2,662)
PTN000000074

>  <COMPOUND_NUMBER> (2,662)
WAY-639561

>  <BAR_CODE_NO> (2,662)
90474078

>  <LOCATION_CODE> (2,662)
PTNCS

>  <AMOUNT_CURRENT> (2,662)
32.4

$$$$
WAY-639741
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0393    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    2.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0393   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8186   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2476   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8186   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1827    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1827    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0393    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5 22  1  0  0  0  0
  6 22  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,663)
2943

>  <Formula> (2,663)
C17H18N4O

>  <MolWeight> (2,663)
294.35102

>  <PCAT_CMPD_ID> (2,663)
WAY-639741

>  <CNC_ID> (2,663)
359429792

>  <transfer_container_id> (2,663)
PTN000000074

>  <COMPOUND_NUMBER> (2,663)
WAY-639741

>  <BAR_CODE_NO> (2,663)
90474260

>  <LOCATION_CODE> (2,663)
PTNCS

>  <AMOUNT_CURRENT> (2,663)
32.2

$$$$
WAY-639875
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.4125   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250   -1.2667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -3.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958   -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  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  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16  2  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 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23 24  1  0  0  0  0
 24 16  1  0  0  0  0
  4  5  2  0  0  0  0
 15 18  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,664)
2944

>  <Formula> (2,664)
C17H15ClN2O4

>  <MolWeight> (2,664)
346.765

>  <PCAT_CMPD_ID> (2,664)
WAY-639875

>  <CNC_ID> (2,664)
359429926

>  <transfer_container_id> (2,664)
PTN000000074

>  <COMPOUND_NUMBER> (2,664)
WAY-639875

>  <BAR_CODE_NO> (2,664)
90474397

>  <LOCATION_CODE> (2,664)
PTNCS

>  <AMOUNT_CURRENT> (2,664)
32.1

$$$$
WAY-639952
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0250   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0250    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.9750    0.0000 C   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
    1.4542    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    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  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  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  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 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
  5  7  1  0  0  0  0
 17 11  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,665)
2945

>  <Formula> (2,665)
C17H19NO2

>  <MolWeight> (2,665)
269.33826

>  <PCAT_CMPD_ID> (2,665)
WAY-639952

>  <CNC_ID> (2,665)
359430003

>  <transfer_container_id> (2,665)
PTN000000074

>  <COMPOUND_NUMBER> (2,665)
WAY-639952

>  <BAR_CODE_NO> (2,665)
90474476

>  <LOCATION_CODE> (2,665)
PTNCS

>  <AMOUNT_CURRENT> (2,665)
32.4

$$$$
WAY-640129
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2583   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    2.6083    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 15  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  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  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15 13  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 11  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 22  1  0  0  0  0
 25 21  1  0  0  0  0
  3  6  1  0  0  0  0
 24 23  2  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,666)
2946

>  <Formula> (2,666)
C22H23NO2

>  <MolWeight> (2,666)
333.42352

>  <PCAT_CMPD_ID> (2,666)
WAY-640129

>  <CNC_ID> (2,666)
359430180

>  <transfer_container_id> (2,666)
PTN000000074

>  <COMPOUND_NUMBER> (2,666)
WAY-640129

>  <BAR_CODE_NO> (2,666)
90474660

>  <LOCATION_CODE> (2,666)
PTNCS

>  <AMOUNT_CURRENT> (2,666)
32.6

$$$$
WAY-640143
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.7667   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5000    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    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  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7  5  1  0  0  0  0
  8 12  1  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  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  2  0  0  0  0
 15  4  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 10 15  1  0  0  0  0
 24 21  2  0  0  0  0
  6  5  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,667)
2947

>  <Formula> (2,667)
C19H20N2O3

>  <MolWeight> (2,667)
324.3737

>  <PCAT_CMPD_ID> (2,667)
WAY-640143

>  <CNC_ID> (2,667)
359430194

>  <transfer_container_id> (2,667)
PTN000000074

>  <COMPOUND_NUMBER> (2,667)
WAY-640143

>  <BAR_CODE_NO> (2,667)
90474674

>  <LOCATION_CODE> (2,667)
PTNCS

>  <AMOUNT_CURRENT> (2,667)
32.4

$$$$
WAY-640158
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.3583   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -2.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -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
    1.4292   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.0458    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
    3.0792    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    0.6125    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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8 13  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13 14  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 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  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 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
  2  6  1  0  0  0  0
 21 16  2  0  0  0  0
 28 24  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,668)
2948

>  <Formula> (2,668)
C24H22N2OS

>  <MolWeight> (2,668)
386.50928

>  <PCAT_CMPD_ID> (2,668)
WAY-640158

>  <CNC_ID> (2,668)
359430209

>  <transfer_container_id> (2,668)
PTN000000074

>  <COMPOUND_NUMBER> (2,668)
WAY-640158

>  <BAR_CODE_NO> (2,668)
90474690

>  <LOCATION_CODE> (2,668)
PTNCS

>  <AMOUNT_CURRENT> (2,668)
32

$$$$
WAY-640618
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.1542    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -1.4042    0.0000 C   0  0  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
   -0.0833   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    3.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    5.0250    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  8  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  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  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  5  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  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  7  1  0  0  0  0
 24  9  1  0  0  0  0
 25 20  1  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 26  1  0  0  0  0
 21 20  1  0  0  0  0
  8 16  1  0  0  0  0
  7  9  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,669)
2949

>  <Formula> (2,669)
C21H26N2O4S2

>  <MolWeight> (2,669)
434.57214

>  <PCAT_CMPD_ID> (2,669)
WAY-640618

>  <CNC_ID> (2,669)
359430670

>  <transfer_container_id> (2,669)
PTN000000074

>  <COMPOUND_NUMBER> (2,669)
WAY-640618

>  <BAR_CODE_NO> (2,669)
90475154

>  <LOCATION_CODE> (2,669)
PTNCS

>  <AMOUNT_CURRENT> (2,669)
32.4

$$$$
WAY-660212
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.4583   -1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -1.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -4.8792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    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  4  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  6  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  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  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 14  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 21  1  0  0  0  0
  5  3  2  0  0  0  0
 13 16  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,670)
2950

>  <Formula> (2,670)
C16H20ClN5O

>  <MolWeight> (2,670)
333.8159

>  <PCAT_CMPD_ID> (2,670)
WAY-660212

>  <CNC_ID> (2,670)
359431450

>  <transfer_container_id> (2,670)
PTN000000074

>  <COMPOUND_NUMBER> (2,670)
WAY-660212

>  <BAR_CODE_NO> (2,670)
90494954

>  <LOCATION_CODE> (2,670)
PTNCS

>  <AMOUNT_CURRENT> (2,670)
32.7

$$$$
WAY-660424
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.3375    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -3.8792    0.0000 C   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
    1.0500    3.1333    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  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9 14  2  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 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  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
 18 15  2  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,671)
2951

>  <Formula> (2,671)
C14H11NO4

>  <MolWeight> (2,671)
257.24144

>  <PCAT_CMPD_ID> (2,671)
WAY-660424

>  <CNC_ID> (2,671)
359431663

>  <transfer_container_id> (2,671)
PTN000000074

>  <COMPOUND_NUMBER> (2,671)
WAY-660424

>  <BAR_CODE_NO> (2,671)
90495166

>  <LOCATION_CODE> (2,671)
PTNCS

>  <AMOUNT_CURRENT> (2,671)
32.5

$$$$
WAY-661064
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.5458    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.0917    0.0000 N   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
    1.6000   -1.7417    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
   -2.6333    1.6458    0.0000 C   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
    2.3167   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167   -3.8042    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
   -2.4833    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9 14  1  0  0  0  0
 10  7  2  0  0  0  0
 11 20  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14 15  1  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  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 18  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
  5  4  2  0  0  0  0
 10  8  1  0  0  0  0
 23 22  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,672)
2952

>  <Formula> (2,672)
C17H20N4O2

>  <MolWeight> (2,672)
312.3663

>  <PCAT_CMPD_ID> (2,672)
WAY-661064

>  <CNC_ID> (2,672)
359432303

>  <transfer_container_id> (2,672)
PTN000000074

>  <COMPOUND_NUMBER> (2,672)
WAY-661064

>  <BAR_CODE_NO> (2,672)
90495809

>  <LOCATION_CODE> (2,672)
PTNCS

>  <AMOUNT_CURRENT> (2,672)
32.2

$$$$
WAY-661179
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.8417   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    2.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -3.9250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333    2.5583    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  2  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  1  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  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 13  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
  8  6  1  0  0  0  0
 23 21  1  0  0  0  0
 13  9  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,673)
2953

>  <Formula> (2,673)
C19H15FN6OS

>  <MolWeight> (2,673)
394.4254032

>  <PCAT_CMPD_ID> (2,673)
WAY-661179

>  <CNC_ID> (2,673)
359432418

>  <transfer_container_id> (2,673)
PTN000000074

>  <COMPOUND_NUMBER> (2,673)
WAY-661179

>  <BAR_CODE_NO> (2,673)
90495924

>  <LOCATION_CODE> (2,673)
PTNCS

>  <AMOUNT_CURRENT> (2,673)
32.5

$$$$
WAY-661186
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.7000    2.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    1.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.5958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    3.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -2.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -3.9125    0.0000 C   0  0  0  0  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 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  5  2  0  0  0  0
 12  2  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  2  0  0  0  0
 15 21  1  0  0  0  0
 16  3  2  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  0  0  0  0
 21 11  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  2  0  0  0  0
 26 25  1  0  0  0  0
 12 14  1  0  0  0  0
 11  4  1  0  0  0  0
  9 10  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,674)
2954

>  <Formula> (2,674)
C16H11ClN4O3S2

>  <MolWeight> (2,674)
406.86654

>  <PCAT_CMPD_ID> (2,674)
WAY-661186

>  <CNC_ID> (2,674)
359432425

>  <transfer_container_id> (2,674)
PTN000000074

>  <COMPOUND_NUMBER> (2,674)
WAY-661186

>  <BAR_CODE_NO> (2,674)
90495931

>  <LOCATION_CODE> (2,674)
PTNCS

>  <AMOUNT_CURRENT> (2,674)
32.2

$$$$
WAY-661194
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    2.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    4.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -3.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -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  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  1  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  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17 13  2  0  0  0  0
 18  8  1  0  0  0  0
 19  9  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 11  1  0  0  0  0
 24 11  2  0  0  0  0
 25 22  2  0  0  0  0
 26 20  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
  5  3  1  0  0  0  0
 29 28  1  0  0  0  0
 25 17  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,675)
2955

>  <Formula> (2,675)
C21H20N4O3S

>  <MolWeight> (2,675)
408.4735

>  <PCAT_CMPD_ID> (2,675)
WAY-661194

>  <CNC_ID> (2,675)
359432433

>  <transfer_container_id> (2,675)
PTN000000074

>  <COMPOUND_NUMBER> (2,675)
WAY-661194

>  <BAR_CODE_NO> (2,675)
90495939

>  <LOCATION_CODE> (2,675)
PTNCS

>  <AMOUNT_CURRENT> (2,675)
32.8

$$$$
WAY-661246
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.7292   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6250    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    2.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -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  3  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 15  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  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 18  2  0  0  0  0
 16  5  2  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 11  1  0  0  0  0
  7  4  2  0  0  0  0
 10  8  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,676)
2956

>  <Formula> (2,676)
C13H13N3O3S2

>  <MolWeight> (2,676)
323.39062

>  <PCAT_CMPD_ID> (2,676)
WAY-661246

>  <CNC_ID> (2,676)
359432485

>  <transfer_container_id> (2,676)
PTN000000074

>  <COMPOUND_NUMBER> (2,676)
WAY-661246

>  <BAR_CODE_NO> (2,676)
90495991

>  <LOCATION_CODE> (2,676)
PTNCS

>  <AMOUNT_CURRENT> (2,676)
32.5

$$$$
WAY-661360
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7458   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    0.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -2.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0792    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.5375    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
    2.5542    2.2583    0.0000 C   0  0  0  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  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  3  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  2  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 15  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 20  1  0  0  0  0
  4  5  2  0  0  0  0
 17 14  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,677)
2957

>  <Formula> (2,677)
C16H21N3OS

>  <MolWeight> (2,677)
303.42244

>  <PCAT_CMPD_ID> (2,677)
WAY-661360

>  <CNC_ID> (2,677)
359432598

>  <transfer_container_id> (2,677)
PTN000000074

>  <COMPOUND_NUMBER> (2,677)
WAY-661360

>  <BAR_CODE_NO> (2,677)
90496105

>  <LOCATION_CODE> (2,677)
PTNCS

>  <AMOUNT_CURRENT> (2,677)
32.5

$$$$
CL-422786
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.5967   -0.1267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1563   -0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2282    0.6336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1484    2.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2282   -0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1971   -2.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1408    0.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5325    3.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0682   -1.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8825    2.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4085   -1.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6765    0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6123   -2.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451   -1.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570   -0.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5090    2.2078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8289    0.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9370    2.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1408    1.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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
  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  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
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
 10 12  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,678)
2958

>  <Formula> (2,678)
C17H20N2O3

>  <MolWeight> (2,678)
300.3523

>  <PCAT_CMPD_ID> (2,678)
CL-422786

>  <CNC_ID> (2,678)
359442429

>  <transfer_container_id> (2,678)
PTN000000076

>  <COMPOUND_NUMBER> (2,678)
CL-422786

>  <BAR_CODE_NO> (2,678)
90611021

>  <LOCATION_CODE> (2,678)
PTNCS

>  <AMOUNT_CURRENT> (2,678)
32.5

$$$$
WAY-624428-A
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.9542   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042    0.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917    0.7708    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
    4.3417   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    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  5  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  3  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  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 15  1  0  0  0  0
 14  3  2  0  0  0  0
 15 16  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 13  1  0  0  0  0
  8  9  2  0  0  0  0
 13 10  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,679)
2959

>  <Formula> (2,679)
C14H15N3OS

>  <MolWeight> (2,679)
273.3534

>  <PCAT_CMPD_ID> (2,679)
WAY-624428-A

>  <CNC_ID> (2,679)
359322849

>  <transfer_container_id> (2,679)
PTN000000065

>  <COMPOUND_NUMBER> (2,679)
WAY-624428-A

>  <BAR_CODE_NO> (2,679)
90458603

>  <LOCATION_CODE> (2,679)
PTNCS

>  <AMOUNT_CURRENT> (2,679)
32.9

$$$$
WAY-330357
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.3042    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0000    8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    7.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6583   10.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250    5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6458    8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0000   11.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4917    4.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9708   10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583   11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6708   12.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542    4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833   12.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0000   13.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583   13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4917    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6917   14.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0167   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3042    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6542    2.8375    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  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 12  2  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 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  1  0  0  0  0
  2  7  2  0  0  0  0
  8 11  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,680)
2960

>  <Formula> (2,680)
C16H16N2O3

>  <MolWeight> (2,680)
284.30984

>  <PCAT_CMPD_ID> (2,680)
WAY-330357

>  <CNC_ID> (2,680)
359317712

>  <transfer_container_id> (2,680)
PTN000000065

>  <COMPOUND_NUMBER> (2,680)
WAY-330357

>  <BAR_CODE_NO> (2,680)
305358

>  <LOCATION_CODE> (2,680)
PTNCS

>  <AMOUNT_CURRENT> (2,680)
32.5

$$$$
WAY-330362
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.3042    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0000    8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    7.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6583   10.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250    5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6458    8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0000   11.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9708   10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583   11.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6708   12.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4917    4.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1542    4.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833   12.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0000   13.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583   13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6917   14.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8375    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4917    3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0167   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5167    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4833    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542    5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5542    0.8125    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  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  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 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 12  1  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
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
  2  7  2  0  0  0  0
  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,681)
2961

>  <Formula> (2,681)
C19H22N2O3

>  <MolWeight> (2,681)
326.38958

>  <PCAT_CMPD_ID> (2,681)
WAY-330362

>  <CNC_ID> (2,681)
359317717

>  <transfer_container_id> (2,681)
PTN000000065

>  <COMPOUND_NUMBER> (2,681)
WAY-330362

>  <BAR_CODE_NO> (2,681)
305363

>  <LOCATION_CODE> (2,681)
PTNCS

>  <AMOUNT_CURRENT> (2,681)
32.5

$$$$
WYE-176077
csChFnd80/11182011152D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.0917    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.8708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0500    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7667    0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4792    1.2833    0.0000 O   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
    0.0917   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    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  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  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  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  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  9  1  0  0  0  0
 19 10  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  2  1  0  0  0  0
 24  6  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 24  2  0  0  0  0
 26 27  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,682)
2962

>  <Formula> (2,682)
C19H18N2O6

>  <MolWeight> (2,682)
370.35602

>  <PCAT_CMPD_ID> (2,682)
WYE-176077

>  <CNC_ID> (2,682)
359450217

>  <transfer_container_id> (2,682)
PTN000000076

>  <COMPOUND_NUMBER> (2,682)
WYE-176077

>  <BAR_CODE_NO> (2,682)
90611027

>  <LOCATION_CODE> (2,682)
PTNCS

>  <AMOUNT_CURRENT> (2,682)
32.6

$$$$
WYE-176082
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.9937    0.4245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3247    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9937    1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144    0.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0937   -0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3247    1.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144    1.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753   -0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5937   -0.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7753    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247    1.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442   -1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856   -0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4235   -1.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649   -0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442   -1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6132   -1.2548    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  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
 15 17  2  0  0  0  0
 16 18  2  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  1  0  0  0  0
M  END
>  <Mol_ID> (2,683)
2963

>  <Formula> (2,683)
C16H12ClNO

>  <MolWeight> (2,683)
269.72558

>  <PCAT_CMPD_ID> (2,683)
WYE-176082

>  <CNC_ID> (2,683)
359450221

>  <transfer_container_id> (2,683)
PTN000000076

>  <COMPOUND_NUMBER> (2,683)
WYE-176082

>  <BAR_CODE_NO> (2,683)
90611147

>  <LOCATION_CODE> (2,683)
PTNCS

>  <AMOUNT_CURRENT> (2,683)
32.8

$$$$
WYE-176155
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.3500    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1333    1.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.3833    0.0000 N   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
    0.7125    0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7708   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333   -1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.4542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9417    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  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 11  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 10  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  2  1  0  0  0  0
 16 18  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  6  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 20  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
  6  5  2  0  0  0  0
  7  8  2  0  0  0  0
 27 24  1  0  0  0  0
 26 25  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,684)
2964

>  <Formula> (2,684)
C22H19FN4

>  <MolWeight> (2,684)
358.4114632

>  <PCAT_CMPD_ID> (2,684)
WYE-176155

>  <CNC_ID> (2,684)
359450261

>  <transfer_container_id> (2,684)
PTN000000076

>  <COMPOUND_NUMBER> (2,684)
WYE-176155

>  <BAR_CODE_NO> (2,684)
90611098

>  <LOCATION_CODE> (2,684)
PTNCS

>  <AMOUNT_CURRENT> (2,684)
32.5

$$$$
WYE-176298
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5875    0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.2708    0.0000 N   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
   -1.0708    0.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8417    2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417   -0.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -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  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  3  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 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 13  1  0  0  0  0
  5  3  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,685)
2965

>  <Formula> (2,685)
C12H12N2O3S

>  <MolWeight> (2,685)
264.30028

>  <PCAT_CMPD_ID> (2,685)
WYE-176298

>  <CNC_ID> (2,685)
359450360

>  <transfer_container_id> (2,685)
PTN000000076

>  <COMPOUND_NUMBER> (2,685)
WYE-176298

>  <BAR_CODE_NO> (2,685)
90611304

>  <LOCATION_CODE> (2,685)
PTNCS

>  <AMOUNT_CURRENT> (2,685)
32.8

$$$$
WYE-176358
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.6083    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    0.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833    3.2500    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
    1.4625    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1208    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -5.2000    0.0000 F   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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 17  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  2  2  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  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  4  2  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  2  0  0  0  0
 24 14  1  0  0  0  0
 25 26  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
 11 21  1  0  0  0  0
 22 12  1  0  0  0  0
 20 12  1  0  0  0  0
 18  6  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,686)
2966

>  <Formula> (2,686)
C22H28FN3OS

>  <MolWeight> (2,686)
401.5406232

>  <PCAT_CMPD_ID> (2,686)
WYE-176358

>  <CNC_ID> (2,686)
359450401

>  <transfer_container_id> (2,686)
PTN000000076

>  <COMPOUND_NUMBER> (2,686)
WYE-176358

>  <BAR_CODE_NO> (2,686)
90611352

>  <LOCATION_CODE> (2,686)
PTNCS

>  <AMOUNT_CURRENT> (2,686)
32.7

$$$$
WYE-176435
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.1638   -0.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6096   -0.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3721   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0971   -1.5649    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221   -1.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4346   -0.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2654    0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   -0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6779    0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5404    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6221   -1.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779    1.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1404    0.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7779    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971   -1.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    0.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    1.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846   -0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0763   -1.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3737    1.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7096   -0.3357    0.0000 C   0  0  0  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  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15  9  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 16  1  0  0  0  0
 20  6  2  0  0  0  0
 21 23  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  5  4  1  0  0  0  0
 10  9  1  0  0  0  0
 21 11  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,687)
2967

>  <Formula> (2,687)
C19H14N2OS

>  <MolWeight> (2,687)
318.39226

>  <PCAT_CMPD_ID> (2,687)
WYE-176435

>  <CNC_ID> (2,687)
359450429

>  <transfer_container_id> (2,687)
PTN000000076

>  <COMPOUND_NUMBER> (2,687)
WYE-176435

>  <BAR_CODE_NO> (2,687)
90611383

>  <LOCATION_CODE> (2,687)
PTNCS

>  <AMOUNT_CURRENT> (2,687)
32.3

$$$$
WAY-276900
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6125    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.1208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    0.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    0.5333    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
    1.6375    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500    2.0500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    1.1458    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  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  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 16  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 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 23  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 20  1  0  0  0  0
 23 21  2  0  0  0  0
  6  4  2  0  0  0  0
 10  9  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,688)
2968

>  <Formula> (2,688)
C14H13FN4O2S2

>  <MolWeight> (2,688)
352.4070232

>  <PCAT_CMPD_ID> (2,688)
WAY-276900

>  <CNC_ID> (2,688)
359326975

>  <transfer_container_id> (2,688)
PTN000000067

>  <COMPOUND_NUMBER> (2,688)
WAY-276900

>  <BAR_CODE_NO> (2,688)
389599

>  <LOCATION_CODE> (2,688)
PTNCS

>  <AMOUNT_CURRENT> (2,688)
32.5

$$$$
WAY-332720
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.3917   -8.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -6.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -9.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875   -8.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -3.6250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0875   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -8.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7375   -5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667   -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  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 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  1  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 13  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 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
  4  3  1  0  0  0  0
 18 14  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,689)
2969

>  <Formula> (2,689)
C15H12N2O3S2

>  <MolWeight> (2,689)
332.39738

>  <PCAT_CMPD_ID> (2,689)
WAY-332720

>  <CNC_ID> (2,689)
359331256

>  <transfer_container_id> (2,689)
PTN000000067

>  <COMPOUND_NUMBER> (2,689)
WAY-332720

>  <BAR_CODE_NO> (2,689)
307721

>  <LOCATION_CODE> (2,689)
PTNCS

>  <AMOUNT_CURRENT> (2,689)
32.5

$$$$
WAY-332724
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.7667   -8.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -7.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -6.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -9.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -8.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -5.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042   -2.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9125   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.6417    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  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 13  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  2  0  0  0  0
 17  5  2  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  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 24 21  1  0  0  0  0
  4  3  1  0  0  0  0
 22 15  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,690)
2970

>  <Formula> (2,690)
C17H16N2O3S2

>  <MolWeight> (2,690)
360.45054

>  <PCAT_CMPD_ID> (2,690)
WAY-332724

>  <CNC_ID> (2,690)
359331260

>  <transfer_container_id> (2,690)
PTN000000067

>  <COMPOUND_NUMBER> (2,690)
WAY-332724

>  <BAR_CODE_NO> (2,690)
307725

>  <LOCATION_CODE> (2,690)
PTNCS

>  <AMOUNT_CURRENT> (2,690)
32.5

$$$$
WAY-333520
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -6.7667    5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375    8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7667    3.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9667    8.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1292   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5250    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417    5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9417   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5500    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3000   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8000    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    5.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0750   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -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  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  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10  4  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 13  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  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  8  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
  6  3  1  0  0  0  0
 12 10  2  0  0  0  0
 20 18  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,691)
2971

>  <Formula> (2,691)
C18H19N5O2S

>  <MolWeight> (2,691)
369.44076

>  <PCAT_CMPD_ID> (2,691)
WAY-333520

>  <CNC_ID> (2,691)
359332054

>  <transfer_container_id> (2,691)
PTN000000067

>  <COMPOUND_NUMBER> (2,691)
WAY-333520

>  <BAR_CODE_NO> (2,691)
308521

>  <LOCATION_CODE> (2,691)
PTNCS

>  <AMOUNT_CURRENT> (2,691)
32.5

$$$$
WAY-624111
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.9417   -3.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -2.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    1.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -4.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    2.2708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    3.4208    0.0000 C   0  0  0  0  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  8  1  0  0  0  0
  8 13  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  2  1  0  0  0  0
 13 19  1  0  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  2  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  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 26  2  0  0  0  0
 10  9  1  0  0  0  0
  5  4  1  0  0  0  0
 18 22  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,692)
2972

>  <Formula> (2,692)
C19H17ClN4O3S

>  <MolWeight> (2,692)
416.88128

>  <PCAT_CMPD_ID> (2,692)
WAY-624111

>  <CNC_ID> (2,692)
359322730

>  <transfer_container_id> (2,692)
PTN000000065

>  <COMPOUND_NUMBER> (2,692)
WAY-624111

>  <BAR_CODE_NO> (2,692)
90458285

>  <LOCATION_CODE> (2,692)
PTNCS

>  <AMOUNT_CURRENT> (2,692)
32.7

$$$$
WAY-333133
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.7708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.2708    0.0000 N   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
   -1.8833    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    4.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    3.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    4.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -1.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    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  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  3  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 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 10  1  0  0  0  0
 15  4  2  0  0  0  0
 16  7  2  0  0  0  0
 17 10  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 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24  6  1  0  0  0  0
 25 21  1  0  0  0  0
 26  8  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 26  2  0  0  0  0
  6  8  2  0  0  0  0
 30 29  1  0  0  0  0
 21 13  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,693)
2973

>  <Formula> (2,693)
C22H18N2O6

>  <MolWeight> (2,693)
406.38812

>  <PCAT_CMPD_ID> (2,693)
WAY-333133

>  <CNC_ID> (2,693)
359331668

>  <transfer_container_id> (2,693)
PTN000000067

>  <COMPOUND_NUMBER> (2,693)
WAY-333133

>  <BAR_CODE_NO> (2,693)
308134

>  <LOCATION_CODE> (2,693)
PTNCS

>  <AMOUNT_CURRENT> (2,693)
32.5

$$$$
WAY-333062
csChFnd80/11182011152D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.7708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.2708    0.0000 N   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
   -1.8833    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    5.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    3.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    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  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  3  1  0  0  0  0
  9  4  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 20  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  4  2  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 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 26  1  0  0  0  0
 23  6  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  8  1  0  0  0  0
 29 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 23  2  0  0  0  0
 32 28  2  0  0  0  0
  6  8  2  0  0  0  0
 32 31  1  0  0  0  0
 27 22  2  0  0  0  0
 11 13  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,694)
2974

>  <Formula> (2,694)
C24H18N2O6

>  <MolWeight> (2,694)
430.40952

>  <PCAT_CMPD_ID> (2,694)
WAY-333062

>  <CNC_ID> (2,694)
359331597

>  <transfer_container_id> (2,694)
PTN000000067

>  <COMPOUND_NUMBER> (2,694)
WAY-333062

>  <BAR_CODE_NO> (2,694)
308063

>  <LOCATION_CODE> (2,694)
PTNCS

>  <AMOUNT_CURRENT> (2,694)
32.5

$$$$
WAY-333117
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.7708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.2708    0.0000 N   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
   -1.8833    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    4.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    5.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    3.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    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  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  3  1  0  0  0  0
  9  4  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 20  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  4  2  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 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 26  1  0  0  0  0
 23  6  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  8  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  2  0  0  0  0
 31 28  2  0  0  0  0
  6  8  2  0  0  0  0
 31 30  1  0  0  0  0
 27 22  2  0  0  0  0
 11 13  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,695)
2975

>  <Formula> (2,695)
C24H18N2O5

>  <MolWeight> (2,695)
414.41012

>  <PCAT_CMPD_ID> (2,695)
WAY-333117

>  <CNC_ID> (2,695)
359331652

>  <transfer_container_id> (2,695)
PTN000000067

>  <COMPOUND_NUMBER> (2,695)
WAY-333117

>  <BAR_CODE_NO> (2,695)
308118

>  <LOCATION_CODE> (2,695)
PTNCS

>  <AMOUNT_CURRENT> (2,695)
32.5

$$$$
WAY-333097
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.7708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.2708    0.0000 N   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
   -1.8833    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    3.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.2542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    4.4667    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  2  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  4  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 19  2  0  0  0  0
 15 14  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 18  1  0  0  0  0
 20 17  2  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 16  2  0  0  0  0
 25 21  2  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
  6  8  2  0  0  0  0
 25 24  1  0  0  0  0
 14 20  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,696)
2976

>  <Formula> (2,696)
C21H19FN2O3

>  <MolWeight> (2,696)
366.3855632

>  <PCAT_CMPD_ID> (2,696)
WAY-333097

>  <CNC_ID> (2,696)
359331632

>  <transfer_container_id> (2,696)
PTN000000067

>  <COMPOUND_NUMBER> (2,696)
WAY-333097

>  <BAR_CODE_NO> (2,696)
308098

>  <LOCATION_CODE> (2,696)
PTNCS

>  <AMOUNT_CURRENT> (2,696)
32.5

$$$$
WAY-641850
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.0250    0.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.1333    0.0000 N   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
    2.0042   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -0.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    0.6583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    1.7833    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  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  2  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  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 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17 24  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  1  0  0  0  0
 20  8  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 20  2  0  0  0  0
 25 16  1  0  0  0  0
 26 31  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 25  2  0  0  0  0
 30 28  2  0  0  0  0
 31 29  1  0  0  0  0
 32 19  1  0  0  0  0
 33 22  1  0  0  0  0
 17 12  2  0  0  0  0
 30 26  1  0  0  0  0
  2  5  2  0  0  0  0
 32 33  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,697)
2977

>  <Formula> (2,697)
C22H18FN3O5S2

>  <MolWeight> (2,697)
487.5238232

>  <PCAT_CMPD_ID> (2,697)
WAY-641850

>  <CNC_ID> (2,697)
359323588

>  <transfer_container_id> (2,697)
PTN000000065

>  <COMPOUND_NUMBER> (2,697)
WAY-641850

>  <BAR_CODE_NO> (2,697)
90476403

>  <LOCATION_CODE> (2,697)
PTNCS

>  <AMOUNT_CURRENT> (2,697)
32.1

$$$$
WAY-603186
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.5458    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.4542    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  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  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 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  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
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,698)
2523

>  <Formula> (2,698)
C14H15NO3S2

>  <MolWeight> (2,698)
309.4038

>  <PCAT_CMPD_ID> (2,698)
WAY-603186

>  <CNC_ID> (2,698)
359389134

>  <transfer_container_id> (2,698)
PTN000000071

>  <COMPOUND_NUMBER> (2,698)
WAY-603186

>  <BAR_CODE_NO> (2,698)
90436727

>  <LOCATION_CODE> (2,698)
PTNCS

>  <AMOUNT_CURRENT> (2,698)
32.7

$$$$
WAY-603262
csChFnd80/11182011152D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -0.0083    1.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    1.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.2667    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  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  5  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 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  2  0  0  0  0
  3  2  1  0  0  0  0
  9 12  1  0  0  0  0
  7 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,699)
2524

>  <Formula> (2,699)
C10H9N3O

>  <MolWeight> (2,699)
187.19796

>  <PCAT_CMPD_ID> (2,699)
WAY-603262

>  <CNC_ID> (2,699)
359389210

>  <transfer_container_id> (2,699)
PTN000000071

>  <COMPOUND_NUMBER> (2,699)
WAY-603262

>  <BAR_CODE_NO> (2,699)
90436808

>  <LOCATION_CODE> (2,699)
PTNCS

>  <AMOUNT_CURRENT> (2,699)
32.5

$$$$
WAY-603311
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.2292   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    0.8625    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
    2.2167   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    0.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -1.3917    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  7  1  0  0  0  0
  7 11  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  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  1  0  0  0  0
 16  5  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
  4  5  2  0  0  0  0
 18 17  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,700)
2525

>  <Formula> (2,700)
C13H8ClNO2S2

>  <MolWeight> (2,700)
309.79112

>  <PCAT_CMPD_ID> (2,700)
WAY-603311

>  <CNC_ID> (2,700)
359389259

>  <transfer_container_id> (2,700)
PTN000000071

>  <COMPOUND_NUMBER> (2,700)
WAY-603311

>  <BAR_CODE_NO> (2,700)
90436858

>  <LOCATION_CODE> (2,700)
PTNCS

>  <AMOUNT_CURRENT> (2,700)
32.4

$$$$
WAY-634864
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.0917   -3.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1750    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    2.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -3.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2667   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.7000    0.0000 O   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
    1.0125   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    2.5250    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 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 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15  5  1  0  0  0  0
 16  1  1  0  0  0  0
 17  4  2  0  0  0  0
 18 10  2  0  0  0  0
 19 16  1  0  0  0  0
 20 10  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 22  2  0  0  0  0
 19 15  1  0  0  0  0
 12  7  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,701)
2526

>  <Formula> (2,701)
C15H17NO7S

>  <MolWeight> (2,701)
355.36298

>  <PCAT_CMPD_ID> (2,701)
WAY-634864

>  <CNC_ID> (2,701)
359389965

>  <transfer_container_id> (2,701)
PTN000000071

>  <COMPOUND_NUMBER> (2,701)
WAY-634864

>  <BAR_CODE_NO> (2,701)
90469328

>  <LOCATION_CODE> (2,701)
PTNCS

>  <AMOUNT_CURRENT> (2,701)
32.2

$$$$
WAY-634881
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.5833    2.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    2.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    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  1  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 10  1  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  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 17 21  1  0  0  0  0
 18 15  2  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21 16  1  0  0  0  0
 22 24  1  0  0  0  0
 23  9  1  0  0  0  0
 24 17  2  0  0  0  0
 25 22  2  0  0  0  0
 26 18  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
 29 28  1  0  0  0  0
 14 10  1  0  0  0  0
 25 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,702)
2527

>  <Formula> (2,702)
C22H28N2O4S

>  <MolWeight> (2,702)
416.53372

>  <PCAT_CMPD_ID> (2,702)
WAY-634881

>  <CNC_ID> (2,702)
359389982

>  <transfer_container_id> (2,702)
PTN000000071

>  <COMPOUND_NUMBER> (2,702)
WAY-634881

>  <BAR_CODE_NO> (2,702)
90469345

>  <LOCATION_CODE> (2,702)
PTNCS

>  <AMOUNT_CURRENT> (2,702)
32.9

$$$$
WAY-634915
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6000    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.9708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -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  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  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 14  2  0  0  0  0
 14 12  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  7  1  0  0  0  0
 19 10  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
  3  2  1  0  0  0  0
 13 15  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,703)
2528

>  <Formula> (2,703)
C18H18ClNO2

>  <MolWeight> (2,703)
315.79402

>  <PCAT_CMPD_ID> (2,703)
WAY-634915

>  <CNC_ID> (2,703)
359390016

>  <transfer_container_id> (2,703)
PTN000000071

>  <COMPOUND_NUMBER> (2,703)
WAY-634915

>  <BAR_CODE_NO> (2,703)
90469379

>  <LOCATION_CODE> (2,703)
PTNCS

>  <AMOUNT_CURRENT> (2,703)
32.6

$$$$
WAY-634963
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.8625    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -0.3292    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  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  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  6  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  2  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  1  0  0  0  0
  4  2  1  0  0  0  0
 11 10  2  0  0  0  0
 20 18  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,704)
2529

>  <Formula> (2,704)
C17H16N2O2

>  <MolWeight> (2,704)
280.32114

>  <PCAT_CMPD_ID> (2,704)
WAY-634963

>  <CNC_ID> (2,704)
359390064

>  <transfer_container_id> (2,704)
PTN000000071

>  <COMPOUND_NUMBER> (2,704)
WAY-634963

>  <BAR_CODE_NO> (2,704)
90469429

>  <LOCATION_CODE> (2,704)
PTNCS

>  <AMOUNT_CURRENT> (2,704)
32.9

$$$$
WAY-634975
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.4208   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250    2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -2.5375    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
    1.1875    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -2.5375    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  2  0  0  0  0
  5  6  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  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  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 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  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 18  2  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
  7  8  2  0  0  0  0
 13 15  1  0  0  0  0
 12  5  1  0  0  0  0
 27 20  2  0  0  0  0
 25 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,705)
2530

>  <Formula> (2,705)
C21H21N5S

>  <MolWeight> (2,705)
375.48994

>  <PCAT_CMPD_ID> (2,705)
WAY-634975

>  <CNC_ID> (2,705)
359390076

>  <transfer_container_id> (2,705)
PTN000000071

>  <COMPOUND_NUMBER> (2,705)
WAY-634975

>  <BAR_CODE_NO> (2,705)
90469441

>  <LOCATION_CODE> (2,705)
PTNCS

>  <AMOUNT_CURRENT> (2,705)
32.7

$$$$
WAY-634573
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.3458   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    0.2958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -0.3750    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
    0.8000    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167    2.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    1.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    3.9208    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  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  6  1  0  0  0  0
 12  4  2  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 10  2  0  0  0  0
 17  5  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 13  2  0  0  0  0
 21 11  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  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
  9  8  1  0  0  0  0
  3  6  2  0  0  0  0
 18 19  2  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,706)
2531

>  <Formula> (2,706)
C20H21N3O3S2

>  <MolWeight> (2,706)
415.52904

>  <PCAT_CMPD_ID> (2,706)
WAY-634573

>  <CNC_ID> (2,706)
359389676

>  <transfer_container_id> (2,706)
PTN000000071

>  <COMPOUND_NUMBER> (2,706)
WAY-634573

>  <BAR_CODE_NO> (2,706)
90469031

>  <LOCATION_CODE> (2,706)
PTNCS

>  <AMOUNT_CURRENT> (2,706)
32.2

$$$$
WAY-634596
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.2333   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3333   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    2.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.6917    0.0000 C   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
    1.1917    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.2917    0.0000 C   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
   -3.5708   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -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  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  2  2  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 13  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 11  2  0  0  0  0
 16 11  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  1  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 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
  6  7  1  0  0  0  0
  4  3  2  0  0  0  0
 23 27  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,707)
2532

>  <Formula> (2,707)
C19H21N5O2S

>  <MolWeight> (2,707)
383.46734

>  <PCAT_CMPD_ID> (2,707)
WAY-634596

>  <CNC_ID> (2,707)
359389699

>  <transfer_container_id> (2,707)
PTN000000071

>  <COMPOUND_NUMBER> (2,707)
WAY-634596

>  <BAR_CODE_NO> (2,707)
90469054

>  <LOCATION_CODE> (2,707)
PTNCS

>  <AMOUNT_CURRENT> (2,707)
32.9

$$$$
WAY-634606
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5917   -1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -1.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0167   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -2.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1208    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    3.4833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -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  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  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15  5  2  0  0  0  0
 16 19  2  0  0  0  0
 17  7  1  0  0  0  0
 18  1  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24 21  1  0  0  0  0
  3  6  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,708)
2533

>  <Formula> (2,708)
C17H21ClN2O4

>  <MolWeight> (2,708)
352.81264

>  <PCAT_CMPD_ID> (2,708)
WAY-634606

>  <CNC_ID> (2,708)
359389708

>  <transfer_container_id> (2,708)
PTN000000071

>  <COMPOUND_NUMBER> (2,708)
WAY-634606

>  <BAR_CODE_NO> (2,708)
90469064

>  <LOCATION_CODE> (2,708)
PTNCS

>  <AMOUNT_CURRENT> (2,708)
32.4

$$$$
WAY-634672
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2333    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    1.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    0.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.2667    0.0000 O   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
   -0.5208   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    3.6458    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  2  0  0  0  0
  8  4  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 16  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18 12  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
  3  5  1  0  0  0  0
 19 14  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,709)
2534

>  <Formula> (2,709)
C15H14N4O

>  <MolWeight> (2,709)
266.29786

>  <PCAT_CMPD_ID> (2,709)
WAY-634672

>  <CNC_ID> (2,709)
359389774

>  <transfer_container_id> (2,709)
PTN000000071

>  <COMPOUND_NUMBER> (2,709)
WAY-634672

>  <BAR_CODE_NO> (2,709)
90469132

>  <LOCATION_CODE> (2,709)
PTNCS

>  <AMOUNT_CURRENT> (2,709)
32.2

$$$$
WAY-634700
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.2375   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458    3.3208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    3.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -3.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8167   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -4.0000    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 14  1  0  0  0  0
  8 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 23  1  0  0  0  0
 14 12  2  0  0  0  0
 15  1  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  2  0  0  0  0
 19  8  1  0  0  0  0
 20 11  2  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  1  0  0  0  0
 25 15  1  0  0  0  0
 26  3  1  0  0  0  0
 27  5  1  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
  2  4  1  0  0  0  0
 28 30  1  0  0  0  0
 13  7  2  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,710)
2535

>  <Formula> (2,710)
C22H24N2O5S

>  <MolWeight> (2,710)
428.50136

>  <PCAT_CMPD_ID> (2,710)
WAY-634700

>  <CNC_ID> (2,710)
359389802

>  <transfer_container_id> (2,710)
PTN000000071

>  <COMPOUND_NUMBER> (2,710)
WAY-634700

>  <BAR_CODE_NO> (2,710)
90469160

>  <LOCATION_CODE> (2,710)
PTNCS

>  <AMOUNT_CURRENT> (2,710)
32.8

$$$$
WAY-634712
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.9375   -1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.8125    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
    0.4917   -0.9875    0.0000 C   0  0  3  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
   -1.7208   -0.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -2.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    0.6625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    3.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    4.3667    0.0000 C   0  0  0  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  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  3  0  0  0  0
 13  9  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  9  2  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 23  1  0  0  0  0
 22 29  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 20  1  0  0  0  0
 27 20  2  0  0  0  0
 28 26  2  0  0  0  0
 29 27  1  0  0  0  0
 30 22  1  0  0  0  0
 31 30  1  0  0  0  0
 13  8  1  0  0  0  0
  6  3  1  0  0  0  0
 21 24  2  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,711)
2536

>  <Formula> (2,711)
C22H17ClN4O3S

>  <MolWeight> (2,711)
452.91338

>  <PCAT_CMPD_ID> (2,711)
WAY-634712

>  <CNC_ID> (2,711)
359389814

>  <transfer_container_id> (2,711)
PTN000000071

>  <COMPOUND_NUMBER> (2,711)
WAY-634712

>  <BAR_CODE_NO> (2,711)
90469173

>  <LOCATION_CODE> (2,711)
PTNCS

>  <AMOUNT_CURRENT> (2,711)
32.8

$$$$
WAY-635086
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.2708   -2.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1250   -1.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -1.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3417   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -0.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7667    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    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  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  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14 17  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 10  1  0  0  0  0
 19 18  2  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 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 26  1  0  0  0  0
  4  5  1  0  0  0  0
 21 25  1  0  0  0  0
 22 15  2  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,712)
2537

>  <Formula> (2,712)
C20H21N3O3S

>  <MolWeight> (2,712)
383.46404

>  <PCAT_CMPD_ID> (2,712)
WAY-635086

>  <CNC_ID> (2,712)
359390187

>  <transfer_container_id> (2,712)
PTN000000071

>  <COMPOUND_NUMBER> (2,712)
WAY-635086

>  <BAR_CODE_NO> (2,712)
90469553

>  <LOCATION_CODE> (2,712)
PTNCS

>  <AMOUNT_CURRENT> (2,712)
32.6

$$$$
WAY-635130
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4995    1.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7941    0.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893    2.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129    0.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129   -1.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184    1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8350    0.8390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -1.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8350   -1.5676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    0.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7101   -0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -1.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3939    0.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7007    1.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3787   -1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004    1.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9920    0.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6699   -1.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9766   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0373    0.9016    0.0000 Cl  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
 16  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  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
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,713)
2538

>  <Formula> (2,713)
C15H12ClN3O

>  <MolWeight> (2,713)
285.72828

>  <PCAT_CMPD_ID> (2,713)
WAY-635130

>  <CNC_ID> (2,713)
359390231

>  <transfer_container_id> (2,713)
PTN000000071

>  <COMPOUND_NUMBER> (2,713)
WAY-635130

>  <BAR_CODE_NO> (2,713)
90469601

>  <LOCATION_CODE> (2,713)
PTNCS

>  <AMOUNT_CURRENT> (2,713)
32.6

$$$$
WAY-635149
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.0708    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    0.4208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3375    1.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2458    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2292   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -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  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  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  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  5  1  0  0  0  0
 19  9  1  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
 23 14  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
 15 16  2  0  0  0  0
 22 14  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,714)
2539

>  <Formula> (2,714)
C20H22N2O3

>  <MolWeight> (2,714)
338.40028

>  <PCAT_CMPD_ID> (2,714)
WAY-635149

>  <CNC_ID> (2,714)
359390250

>  <transfer_container_id> (2,714)
PTN000000071

>  <COMPOUND_NUMBER> (2,714)
WAY-635149

>  <BAR_CODE_NO> (2,714)
90469620

>  <LOCATION_CODE> (2,714)
PTNCS

>  <AMOUNT_CURRENT> (2,714)
32.2

$$$$
WAY-635250
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0583    1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    2.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4875    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -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  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 11  1  0  0  0  0
  9  5  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 12  1  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 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 20  1  0  0  0  0
 22 21  1  0  0  0  0
  4  3  1  0  0  0  0
 13  9  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,715)
2540

>  <Formula> (2,715)
C16H15N3O2S

>  <MolWeight> (2,715)
313.3742

>  <PCAT_CMPD_ID> (2,715)
WAY-635250

>  <CNC_ID> (2,715)
359390351

>  <transfer_container_id> (2,715)
PTN000000071

>  <COMPOUND_NUMBER> (2,715)
WAY-635250

>  <BAR_CODE_NO> (2,715)
90469723

>  <LOCATION_CODE> (2,715)
PTNCS

>  <AMOUNT_CURRENT> (2,715)
32.1

$$$$
WAY-635277
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.9667   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -1.5750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.9000    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
   -1.1750    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3208    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.9875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3208    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -1.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8250   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -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  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 17  2  0  0  0  0
 12  2  1  0  0  0  0
 13 22  1  0  0  0  0
 14  2  2  0  0  0  0
 15  4  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 16  1  0  0  0  0
 20  6  2  0  0  0  0
 21  7  1  0  0  0  0
 22 24  2  0  0  0  0
 23  4  1  0  0  0  0
 24 17  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
 28 25  1  0  0  0  0
 21 10  2  0  0  0  0
 27 25  1  0  0  0  0
 13  9  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,716)
2541

>  <Formula> (2,716)
C20H21N3O5

>  <MolWeight> (2,716)
383.39784

>  <PCAT_CMPD_ID> (2,716)
WAY-635277

>  <CNC_ID> (2,716)
359390378

>  <transfer_container_id> (2,716)
PTN000000071

>  <COMPOUND_NUMBER> (2,716)
WAY-635277

>  <BAR_CODE_NO> (2,716)
90469751

>  <LOCATION_CODE> (2,716)
PTNCS

>  <AMOUNT_CURRENT> (2,716)
32.3

$$$$
WAY-635324
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.7000    1.1333    0.0000 N   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
   -0.4458    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.7958    0.0000 O   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
    0.3167   -2.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -3.1292    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  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  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 10  1  0  0  0  0
 14  2  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 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 12  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,717)
2542

>  <Formula> (2,717)
C17H17ClN2O

>  <MolWeight> (2,717)
300.78268

>  <PCAT_CMPD_ID> (2,717)
WAY-635324

>  <CNC_ID> (2,717)
359390425

>  <transfer_container_id> (2,717)
PTN000000071

>  <COMPOUND_NUMBER> (2,717)
WAY-635324

>  <BAR_CODE_NO> (2,717)
90469798

>  <LOCATION_CODE> (2,717)
PTNCS

>  <AMOUNT_CURRENT> (2,717)
32.5

$$$$
WAY-635393
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.2667   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125    0.9208    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 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 17  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 18  2  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
 21 18  1  0  0  0  0
 22  3  1  0  0  0  0
 23  6  1  0  0  0  0
 24  8  1  0  0  0  0
 25 24  1  0  0  0  0
 26 10  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
  2  6  1  0  0  0  0
 28 23  2  0  0  0  0
 10  8  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,718)
2543

>  <Formula> (2,718)
C21H20N2O5

>  <MolWeight> (2,718)
380.3939

>  <PCAT_CMPD_ID> (2,718)
WAY-635393

>  <CNC_ID> (2,718)
359390493

>  <transfer_container_id> (2,718)
PTN000000071

>  <COMPOUND_NUMBER> (2,718)
WAY-635393

>  <BAR_CODE_NO> (2,718)
90469867

>  <LOCATION_CODE> (2,718)
PTNCS

>  <AMOUNT_CURRENT> (2,718)
32

$$$$
WAY-635441
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.6542   -1.6750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -2.9125    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
   -1.9208    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2417   -2.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.9125    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
    1.6542   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    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  3  2  0  0  0  0
  5 16  1  0  0  0  0
  6  5  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 19  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  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17  5  2  0  0  0  0
 18 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  2  0  0  0  0
 22 21  1  0  0  0  0
 23  7  1  0  0  0  0
 24  4  1  0  0  0  0
 25 23  1  0  0  0  0
 26 11  1  0  0  0  0
 27 25  1  0  0  0  0
 28 18  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
 10 20  1  0  0  0  0
 22 15  2  0  0  0  0
 27 18  1  0  0  0  0
 31 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,719)
2544

>  <Formula> (2,719)
C24H31N3O3S

>  <MolWeight> (2,719)
441.58624

>  <PCAT_CMPD_ID> (2,719)
WAY-635441

>  <CNC_ID> (2,719)
359390541

>  <transfer_container_id> (2,719)
PTN000000071

>  <COMPOUND_NUMBER> (2,719)
WAY-635441

>  <BAR_CODE_NO> (2,719)
90469918

>  <LOCATION_CODE> (2,719)
PTNCS

>  <AMOUNT_CURRENT> (2,719)
32.7

$$$$
WAY-635512
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.3625   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    3.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8750    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375   -0.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -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  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 17  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  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 18  1  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 11  1  0  0  0  0
 19 21  2  0  0  0  0
 20 13  2  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  7  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 20  1  0  0  0  0
  5  3  1  0  0  0  0
 19 22  1  0  0  0  0
 26 20  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,720)
2545

>  <Formula> (2,720)
C19H17ClN4O2S

>  <MolWeight> (2,720)
400.88188

>  <PCAT_CMPD_ID> (2,720)
WAY-635512

>  <CNC_ID> (2,720)
359390612

>  <transfer_container_id> (2,720)
PTN000000071

>  <COMPOUND_NUMBER> (2,720)
WAY-635512

>  <BAR_CODE_NO> (2,720)
90469989

>  <LOCATION_CODE> (2,720)
PTNCS

>  <AMOUNT_CURRENT> (2,720)
32

$$$$
WAY-635651
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1250    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    2.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    1.3875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -2.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -4.3792    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  4  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  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  2  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21  9  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
  7 11  1  0  0  0  0
 15 13  2  0  0  0  0
  9  6  2  0  0  0  0
M  END
>  <Mol_ID> (2,721)
2546

>  <Formula> (2,721)
C16H17N3O2S3

>  <MolWeight> (2,721)
379.52008

>  <PCAT_CMPD_ID> (2,721)
WAY-635651

>  <CNC_ID> (2,721)
359390751

>  <transfer_container_id> (2,721)
PTN000000071

>  <COMPOUND_NUMBER> (2,721)
WAY-635651

>  <BAR_CODE_NO> (2,721)
90470128

>  <LOCATION_CODE> (2,721)
PTNCS

>  <AMOUNT_CURRENT> (2,721)
32.3

$$$$
WAY-636028
csChFnd80/11182011152D

 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
    2.9667    4.5417    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
    3.6292    5.0292    0.0000 F   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
   -2.9708   -3.0292    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
   -3.4750   -4.6000    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 31  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  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 22  2  0  0  0  0
 28 24  1  0  0  0  0
 29  9  1  0  0  0  0
 30  9  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
 33 25  1  0  0  0  0
  8  4  2  0  0  0  0
 24 27  1  0  0  0  0
 14 12  2  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,722)
2547

>  <Formula> (2,722)
C23H22FN3O5S

>  <MolWeight> (2,722)
471.5012832

>  <PCAT_CMPD_ID> (2,722)
WAY-636028

>  <CNC_ID> (2,722)
359391128

>  <transfer_container_id> (2,722)
PTN000000071

>  <COMPOUND_NUMBER> (2,722)
WAY-636028

>  <BAR_CODE_NO> (2,722)
90470507

>  <LOCATION_CODE> (2,722)
PTNCS

>  <AMOUNT_CURRENT> (2,722)
32.3

$$$$
WAY-636104
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.1125    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    0.7333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0042   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8750   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -2.7500    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  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  5  1  0  0  0  0
 11 18  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15 10  2  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  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  2  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
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
  9  3  1  0  0  0  0
 11 17  2  0  0  0  0
 26 22  2  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,723)
2548

>  <Formula> (2,723)
C25H25N3O

>  <MolWeight> (2,723)
383.4855

>  <PCAT_CMPD_ID> (2,723)
WAY-636104

>  <CNC_ID> (2,723)
359391204

>  <transfer_container_id> (2,723)
PTN000000071

>  <COMPOUND_NUMBER> (2,723)
WAY-636104

>  <BAR_CODE_NO> (2,723)
90470585

>  <LOCATION_CODE> (2,723)
PTNCS

>  <AMOUNT_CURRENT> (2,723)
32.1

$$$$
WAY-636180
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.6542    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    2.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.5375    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
    4.6167   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -2.9667    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  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  2  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 18  2  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 13  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
  2  4  1  0  0  0  0
 10 14  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,724)
2549

>  <Formula> (2,724)
C16H13N3O2

>  <MolWeight> (2,724)
279.29332

>  <PCAT_CMPD_ID> (2,724)
WAY-636180

>  <CNC_ID> (2,724)
359391280

>  <transfer_container_id> (2,724)
PTN000000071

>  <COMPOUND_NUMBER> (2,724)
WAY-636180

>  <BAR_CODE_NO> (2,724)
90470662

>  <LOCATION_CODE> (2,724)
PTNCS

>  <AMOUNT_CURRENT> (2,724)
32.2

$$$$
WAY-636236
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.3208   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -1.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500   -2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    4.4042    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 22  1  0  0  0  0
  8  6  1  0  0  0  0
  9 16  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 23  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  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
 20  7  2  0  0  0  0
 21  8  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  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  5  1  0  0  0  0
 28 10  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 26  1  0  0  0  0
  4  5  2  0  0  0  0
 12  9  2  0  0  0  0
 15 14  1  0  0  0  0
 30 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,725)
2550

>  <Formula> (2,725)
C23H23N3O4S

>  <MolWeight> (2,725)
437.51142

>  <PCAT_CMPD_ID> (2,725)
WAY-636236

>  <CNC_ID> (2,725)
359391336

>  <transfer_container_id> (2,725)
PTN000000071

>  <COMPOUND_NUMBER> (2,725)
WAY-636236

>  <BAR_CODE_NO> (2,725)
90470718

>  <LOCATION_CODE> (2,725)
PTNCS

>  <AMOUNT_CURRENT> (2,725)
32.7

$$$$
WAY-636246
csChFnd80/11182011152D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.8667   -2.5125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -3.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -2.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    1.7083    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 15  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  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11 14  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 19  2  0  0  0  0
 16 11  1  0  0  0  0
 17  8  2  0  0  0  0
 18  3  2  0  0  0  0
 19  5  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23  9  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 10  1  0  0  0  0
 27 16  1  0  0  0  0
 28 16  1  0  0  0  0
 29 16  1  0  0  0  0
 30 22  1  0  0  0  0
 31 23  1  0  0  0  0
 32 24  1  0  0  0  0
  4  2  2  0  0  0  0
 31 32  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,726)
2551

>  <Formula> (2,726)
C24H33N3O4S

>  <MolWeight> (2,726)
459.60152

>  <PCAT_CMPD_ID> (2,726)
WAY-636246

>  <CNC_ID> (2,726)
359391346

>  <transfer_container_id> (2,726)
PTN000000071

>  <COMPOUND_NUMBER> (2,726)
WAY-636246

>  <BAR_CODE_NO> (2,726)
90470728

>  <LOCATION_CODE> (2,726)
PTNCS

>  <AMOUNT_CURRENT> (2,726)
32.8

$$$$
WAY-636269
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.5208   -1.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    1.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -4.3042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    1.0958    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  2  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  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  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  7  2  0  0  0  0
 16  9  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 22  2  0  0  0  0
 21 24  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28 11  1  0  0  0  0
 29 27  1  0  0  0  0
 20 23  1  0  0  0  0
 25 21  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,727)
2552

>  <Formula> (2,727)
C19H18ClN3O5S

>  <MolWeight> (2,727)
435.88132

>  <PCAT_CMPD_ID> (2,727)
WAY-636269

>  <CNC_ID> (2,727)
359391369

>  <transfer_container_id> (2,727)
PTN000000071

>  <COMPOUND_NUMBER> (2,727)
WAY-636269

>  <BAR_CODE_NO> (2,727)
90470751

>  <LOCATION_CODE> (2,727)
PTNCS

>  <AMOUNT_CURRENT> (2,727)
32.4

$$$$
WAY-636302
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.3000    1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.4792    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
   -0.3000   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    3.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    3.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    4.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -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  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  7  1  0  0  0  0
  9  4  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  5  1  0  0  0  0
 14  5  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  1  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 22  1  0  0  0  0
 24 23  1  0  0  0  0
  6  9  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,728)
2553

>  <Formula> (2,728)
C16H15F3N2O3

>  <MolWeight> (2,728)
340.2971096

>  <PCAT_CMPD_ID> (2,728)
WAY-636302

>  <CNC_ID> (2,728)
359391402

>  <transfer_container_id> (2,728)
PTN000000071

>  <COMPOUND_NUMBER> (2,728)
WAY-636302

>  <BAR_CODE_NO> (2,728)
90470785

>  <LOCATION_CODE> (2,728)
PTNCS

>  <AMOUNT_CURRENT> (2,728)
33

$$$$
WAY-636322
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4917   -1.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.5458    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
    0.0167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333   -0.2792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    2.1583    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  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 17  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  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 20  2  0  0  0  0
 18 11  1  0  0  0  0
 19  4  2  0  0  0  0
 20  9  1  0  0  0  0
 21 12  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 13  1  0  0  0  0
 26 13  1  0  0  0  0
 27 14  1  0  0  0  0
 28 14  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
  8  3  2  0  0  0  0
 30 29  1  0  0  0  0
 11 12  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,729)
2554

>  <Formula> (2,729)
C20H21FN4O3S2

>  <MolWeight> (2,729)
448.5341432

>  <PCAT_CMPD_ID> (2,729)
WAY-636322

>  <CNC_ID> (2,729)
359391422

>  <transfer_container_id> (2,729)
PTN000000071

>  <COMPOUND_NUMBER> (2,729)
WAY-636322

>  <BAR_CODE_NO> (2,729)
90470805

>  <LOCATION_CODE> (2,729)
PTNCS

>  <AMOUNT_CURRENT> (2,729)
32.5

$$$$
WAY-636386
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.9239   -0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    0.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963    0.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687   -1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963   -0.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2756   -0.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963    1.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860   -1.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -0.3706    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3658   -0.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2347    0.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2692    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -0.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968    1.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9175    0.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9416    1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
 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
  5  8  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,730)
2555

>  <Formula> (2,730)
C13H12BrNO2

>  <MolWeight> (2,730)
294.14388

>  <PCAT_CMPD_ID> (2,730)
WAY-636386

>  <CNC_ID> (2,730)
359391486

>  <transfer_container_id> (2,730)
PTN000000071

>  <COMPOUND_NUMBER> (2,730)
WAY-636386

>  <BAR_CODE_NO> (2,730)
90470869

>  <LOCATION_CODE> (2,730)
PTNCS

>  <AMOUNT_CURRENT> (2,730)
32.8

$$$$
WAY-636422
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6208   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167    1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500    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  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 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12  3  2  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  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 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
  7  8  2  0  0  0  0
  6  3  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,731)
2556

>  <Formula> (2,731)
C18H19N3O2S2

>  <MolWeight> (2,731)
373.49236

>  <PCAT_CMPD_ID> (2,731)
WAY-636422

>  <CNC_ID> (2,731)
359391522

>  <transfer_container_id> (2,731)
PTN000000071

>  <COMPOUND_NUMBER> (2,731)
WAY-636422

>  <BAR_CODE_NO> (2,731)
90470905

>  <LOCATION_CODE> (2,731)
PTNCS

>  <AMOUNT_CURRENT> (2,731)
32.7

$$$$
WAY-636534
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.6625   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.2042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -3.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375    2.2458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.2458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    3.4833    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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 23  1  0  0  0  0
 13  3  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 18  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  7  1  0  0  0  0
 22  8  1  0  0  0  0
 23 17  1  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
  7  8  2  0  0  0  0
  6  3  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,732)
2557

>  <Formula> (2,732)
C17H15Cl2N3O2S2

>  <MolWeight> (2,732)
428.3559

>  <PCAT_CMPD_ID> (2,732)
WAY-636534

>  <CNC_ID> (2,732)
359391634

>  <transfer_container_id> (2,732)
PTN000000071

>  <COMPOUND_NUMBER> (2,732)
WAY-636534

>  <BAR_CODE_NO> (2,732)
90471020

>  <LOCATION_CODE> (2,732)
PTNCS

>  <AMOUNT_CURRENT> (2,732)
32.8

$$$$
WAY-636550
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.7333    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -3.2625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -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  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  1  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 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15 14  2  0  0  0  0
 16 12  2  0  0  0  0
  7  8  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,733)
2558

>  <Formula> (2,733)
C12H10ClNO2

>  <MolWeight> (2,733)
235.6663

>  <PCAT_CMPD_ID> (2,733)
WAY-636550

>  <CNC_ID> (2,733)
359391650

>  <transfer_container_id> (2,733)
PTN000000071

>  <COMPOUND_NUMBER> (2,733)
WAY-636550

>  <BAR_CODE_NO> (2,733)
90471036

>  <LOCATION_CODE> (2,733)
PTNCS

>  <AMOUNT_CURRENT> (2,733)
32.6

$$$$
WAY-636668
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.2083   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    2.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.7833    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
   -1.1708   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    2.1958    0.0000 O   0  0  0  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
   -1.9500   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.6750    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  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  2  0  0  0  0
  7 16  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  7  2  0  0  0  0
 12  2  1  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 12  1  0  0  0  0
 17  9  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 20 13  1  0  0  0  0
 21  5  1  0  0  0  0
 22 18  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
 27 25  2  0  0  0  0
  3  4  1  0  0  0  0
 27 26  1  0  0  0  0
  8  6  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,734)
2559

>  <Formula> (2,734)
C20H17N3O3S

>  <MolWeight> (2,734)
379.43228

>  <PCAT_CMPD_ID> (2,734)
WAY-636668

>  <CNC_ID> (2,734)
359391768

>  <transfer_container_id> (2,734)
PTN000000071

>  <COMPOUND_NUMBER> (2,734)
WAY-636668

>  <BAR_CODE_NO> (2,734)
90471155

>  <LOCATION_CODE> (2,734)
PTNCS

>  <AMOUNT_CURRENT> (2,734)
32.8

$$$$
WAY-636722
csChFnd80/11182011152D

 30 33  0  0  1  0  0  0  0  0999 V2000
   -0.7333   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    3.1083    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    2.3833    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
    1.7417    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -0.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9958   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    3.8125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5042    3.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.6708    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
   -2.7125   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   -0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -3.3292    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  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
 10  9  1  1  0  0  0
 10  1  1  0  0  0  0
 11  2  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  5  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 21  2  0  0  0  0
 19  8  2  0  0  0  0
 20  7  1  0  0  0  0
 21 19  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 23  2  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 28  1  0  0  0  0
 12 11  2  0  0  0  0
 26 27  1  0  0  0  0
 30 29  2  0  0  0  0
  6 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,735)
2560

>  <Formula> (2,735)
C23H20N4O3

>  <MolWeight> (2,735)
400.4299

>  <PCAT_CMPD_ID> (2,735)
WAY-636722

>  <CNC_ID> (2,735)
359391822

>  <transfer_container_id> (2,735)
PTN000000071

>  <COMPOUND_NUMBER> (2,735)
WAY-636722

>  <BAR_CODE_NO> (2,735)
90471209

>  <LOCATION_CODE> (2,735)
PTNCS

>  <AMOUNT_CURRENT> (2,735)
32.6

$$$$
WAY-654280
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.4542   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.0208    0.0000 N   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
    0.4917    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    3.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.0583    0.0000 S   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
   -0.8625   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125    2.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -4.1917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -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  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  2  0  0  0  0
  8 14  1  0  0  0  0
  9  8  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  2  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16 18  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  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
 22 13  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 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
  4  6  2  0  0  0  0
 16 12  2  0  0  0  0
 28 27  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,736)
2561

>  <Formula> (2,736)
C20H24Cl2N4OS

>  <MolWeight> (2,736)
439.40176

>  <PCAT_CMPD_ID> (2,736)
WAY-654280

>  <CNC_ID> (2,736)
359392521

>  <transfer_container_id> (2,736)
PTN000000071

>  <COMPOUND_NUMBER> (2,736)
WAY-654280

>  <BAR_CODE_NO> (2,736)
90488967

>  <LOCATION_CODE> (2,736)
PTNCS

>  <AMOUNT_CURRENT> (2,736)
32.4

$$$$
WAY-654383
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0783    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2243    1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2243    0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702   -0.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702    2.3381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1718   -0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -0.2689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998   -0.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3283    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8813    1.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8813    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057   -0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437    0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998    0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0437   -0.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -1.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5233    1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5233    0.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5838   -1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2038   -2.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148   -2.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -2.4859    0.0000 C   0  0  0  0  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 16  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
  4 12  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 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  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 21  1  0  0  0  0
 24 22  1  0  0  0  0
  5  4  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,737)
2562

>  <Formula> (2,737)
C19H24N2O3

>  <MolWeight> (2,737)
328.40546

>  <PCAT_CMPD_ID> (2,737)
WAY-654383

>  <CNC_ID> (2,737)
359392624

>  <transfer_container_id> (2,737)
PTN000000071

>  <COMPOUND_NUMBER> (2,737)
WAY-654383

>  <BAR_CODE_NO> (2,737)
90489070

>  <LOCATION_CODE> (2,737)
PTNCS

>  <AMOUNT_CURRENT> (2,737)
32.5

$$$$
WAY-654411
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.7875    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -2.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -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  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8 10  1  0  0  0  0
  9  3  1  0  0  0  0
 10 12  2  0  0  0  0
 11  9  2  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14  3  2  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
 18  8  1  0  0  0  0
 19 17  2  0  0  0  0
 19 11  1  0  0  0  0
  8  4  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,738)
2563

>  <Formula> (2,738)
C16H14FNO

>  <MolWeight> (2,738)
255.2868632

>  <PCAT_CMPD_ID> (2,738)
WAY-654411

>  <CNC_ID> (2,738)
359392652

>  <transfer_container_id> (2,738)
PTN000000071

>  <COMPOUND_NUMBER> (2,738)
WAY-654411

>  <BAR_CODE_NO> (2,738)
90489098

>  <LOCATION_CODE> (2,738)
PTNCS

>  <AMOUNT_CURRENT> (2,738)
32.9

$$$$
WAY-654660
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.3917   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.4417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -1.4417    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  7  1  0  0  0  0
  5  2  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 15  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  2  2  0  0  0  0
 14 10  1  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  2  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 16  8  2  0  0  0  0
  9  4  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,739)
2564

>  <Formula> (2,739)
C14H8ClFO4

>  <MolWeight> (2,739)
294.6623232

>  <PCAT_CMPD_ID> (2,739)
WAY-654660

>  <CNC_ID> (2,739)
359392901

>  <transfer_container_id> (2,739)
PTN000000071

>  <COMPOUND_NUMBER> (2,739)
WAY-654660

>  <BAR_CODE_NO> (2,739)
90489347

>  <LOCATION_CODE> (2,739)
PTNCS

>  <AMOUNT_CURRENT> (2,739)
32.5

$$$$
WAY-655046
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.7125   -1.0000    0.0000 S   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
   -0.2333   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    2.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    4.2000    0.0000 N   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
   -0.9958    2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    2.8083    0.0000 Cl  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
    0.3667   -4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -2.8917    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
    0.1125   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    4.6417    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  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 15  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 10  2  0  0  0  0
 15 11  1  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 22  1  0  0  0  0
 20  9  1  0  0  0  0
 21 25  1  0  0  0  0
 22 13  2  0  0  0  0
 23 19  2  0  0  0  0
 24 18  1  0  0  0  0
 25 20  2  0  0  0  0
  5  4  1  0  0  0  0
 23 18  1  0  0  0  0
 21 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,740)
2565

>  <Formula> (2,740)
C16H14ClN5OS2

>  <MolWeight> (2,740)
391.89826

>  <PCAT_CMPD_ID> (2,740)
WAY-655046

>  <CNC_ID> (2,740)
359393286

>  <transfer_container_id> (2,740)
PTN000000071

>  <COMPOUND_NUMBER> (2,740)
WAY-655046

>  <BAR_CODE_NO> (2,740)
90489737

>  <LOCATION_CODE> (2,740)
PTNCS

>  <AMOUNT_CURRENT> (2,740)
32.1

$$$$
WAY-655309
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.4292   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    2.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.9083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    2.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -1.5542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250   -0.5500    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  1  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  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  9  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  8  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 10  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 21  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
  4  5  2  0  0  0  0
 24 18  2  0  0  0  0
 27 26  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,741)
2566

>  <Formula> (2,741)
C20H25FN4OS

>  <MolWeight> (2,741)
388.5021032

>  <PCAT_CMPD_ID> (2,741)
WAY-655309

>  <CNC_ID> (2,741)
359393549

>  <transfer_container_id> (2,741)
PTN000000071

>  <COMPOUND_NUMBER> (2,741)
WAY-655309

>  <BAR_CODE_NO> (2,741)
90490000

>  <LOCATION_CODE> (2,741)
PTNCS

>  <AMOUNT_CURRENT> (2,741)
32.7

$$$$
WAY-655506
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3125   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -1.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792    1.1208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8125   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -0.6125    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 18  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 14  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 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 19  1  0  0  0  0
 19 13  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 20  2  0  0  0  0
  2  5  1  0  0  0  0
 22 21  2  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,742)
2567

>  <Formula> (2,742)
C18H17FN2OS

>  <MolWeight> (2,742)
328.4037832

>  <PCAT_CMPD_ID> (2,742)
WAY-655506

>  <CNC_ID> (2,742)
359393746

>  <transfer_container_id> (2,742)
PTN000000071

>  <COMPOUND_NUMBER> (2,742)
WAY-655506

>  <BAR_CODE_NO> (2,742)
90490197

>  <LOCATION_CODE> (2,742)
PTNCS

>  <AMOUNT_CURRENT> (2,742)
32.6

$$$$
WAY-655663
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1500   -0.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    1.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333    2.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -4.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    4.5000    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  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  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  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  6  1  0  0  0  0
 19  6  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 18  1  0  0  0  0
  5  4  1  0  0  0  0
 16 13  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,743)
2568

>  <Formula> (2,743)
C15H18N4O2S2

>  <MolWeight> (2,743)
350.45902

>  <PCAT_CMPD_ID> (2,743)
WAY-655663

>  <CNC_ID> (2,743)
359393903

>  <transfer_container_id> (2,743)
PTN000000071

>  <COMPOUND_NUMBER> (2,743)
WAY-655663

>  <BAR_CODE_NO> (2,743)
90490354

>  <LOCATION_CODE> (2,743)
PTNCS

>  <AMOUNT_CURRENT> (2,743)
32.4

$$$$
CL-282864
csChFnd80/11182011152D

 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> (2,744)
2569

>  <Formula> (2,744)
C15H12N2O

>  <MolWeight> (2,744)
236.26858

>  <PCAT_CMPD_ID> (2,744)
CL-282864

>  <CNC_ID> (2,744)
359394057

>  <transfer_container_id> (2,744)
PTN000000072

>  <COMPOUND_NUMBER> (2,744)
CL-282864

>  <BAR_CODE_NO> (2,744)
90437324

>  <LOCATION_CODE> (2,744)
PTNCS

>  <AMOUNT_CURRENT> (2,744)
32.9

$$$$
CL-393084
csChFnd80/11182011152D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0297   -0.0977    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3002    0.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3597    0.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297   -1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    2.1883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982    0.0467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6939   -0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3597   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9531    2.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6939   -1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0324    0.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2433    1.0283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0324   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3538   -0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3538   -1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  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  1  0  0  0  0
  7 11  2  0  0  0  0
  7 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  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,745)
2570

>  <Formula> (2,745)
C10H8N2O3S

>  <MolWeight> (2,745)
236.24712

>  <PCAT_CMPD_ID> (2,745)
CL-393084

>  <CNC_ID> (2,745)
359394078

>  <transfer_container_id> (2,745)
PTN000000072

>  <COMPOUND_NUMBER> (2,745)
CL-393084

>  <BAR_CODE_NO> (2,745)
90437585

>  <LOCATION_CODE> (2,745)
PTNCS

>  <AMOUNT_CURRENT> (2,745)
33

$$$$
CL-418068
csChFnd80/11182011152D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.5090    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538   -0.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    1.2581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221    0.8305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2738   -1.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365   -1.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221    2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738    0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538   -2.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3255   -1.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1779   -2.3143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4055   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600    1.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4876   -3.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669   -2.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -3.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600    2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704    0.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5566   -3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704    2.8270    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
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 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
 15 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
 20 24  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 16 20  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,746)
2571

>  <Formula> (2,746)
C20H25N3O

>  <MolWeight> (2,746)
323.432

>  <PCAT_CMPD_ID> (2,746)
CL-418068

>  <CNC_ID> (2,746)
359394107

>  <transfer_container_id> (2,746)
PTN000000072

>  <COMPOUND_NUMBER> (2,746)
CL-418068

>  <BAR_CODE_NO> (2,746)
296257

>  <LOCATION_CODE> (2,746)
PTNCS

>  <AMOUNT_CURRENT> (2,746)
32.5

$$$$
CL-832195
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.3874   -0.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343    1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -1.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065    2.3498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7477    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1211   -0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624   -1.6723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -2.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0210    2.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3944    0.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -3.8458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8436   -1.6280    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582   -3.6547    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0698   -0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3443    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914    0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
 10 17  1  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
 18 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
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,747)
2572

>  <Formula> (2,747)
C15H8F3N3

>  <MolWeight> (2,747)
287.2393296

>  <PCAT_CMPD_ID> (2,747)
CL-832195

>  <CNC_ID> (2,747)
359394141

>  <transfer_container_id> (2,747)
PTN000000072

>  <COMPOUND_NUMBER> (2,747)
CL-832195

>  <BAR_CODE_NO> (2,747)
297742

>  <LOCATION_CODE> (2,747)
PTNCS

>  <AMOUNT_CURRENT> (2,747)
32.5

$$$$
WAY-321098
csChFnd80/11182011152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.3155    0.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776    1.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5845   -0.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7603   -0.6090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3707    1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8155    2.3117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328   -1.3986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742    0.7945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7948    0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2120    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638    2.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2017   -1.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -2.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707   -0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914    2.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466   -2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086   -3.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9017    0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500    3.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   -3.8952    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
  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
  9 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  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5  9  2  0  0  0  0
  8 11  1  0  0  0  0
 15 18  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,748)
2573

>  <Formula> (2,748)
C15H16N4O

>  <MolWeight> (2,748)
268.31374

>  <PCAT_CMPD_ID> (2,748)
WAY-321098

>  <CNC_ID> (2,748)
359397227

>  <transfer_container_id> (2,748)
PTN000000072

>  <COMPOUND_NUMBER> (2,748)
WAY-321098

>  <BAR_CODE_NO> (2,748)
296099

>  <LOCATION_CODE> (2,748)
PTNCS

>  <AMOUNT_CURRENT> (2,748)
32.5

$$$$
WAY-321099-A
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.7862   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8448    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241   -2.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8448   -2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9000   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103   -2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    1.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9000   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9552   -2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862    1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7414   -0.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4621    1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    2.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -0.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724    0.0447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310    3.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276   -1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138    3.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 11 14  1  0  0  0  0
 13 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
 20 23  1  0  0  0  0
 21 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  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,749)
2574

>  <Formula> (2,749)
C20H24N4O2

>  <MolWeight> (2,749)
352.43016

>  <PCAT_CMPD_ID> (2,749)
WAY-321099-A

>  <CNC_ID> (2,749)
359397228

>  <transfer_container_id> (2,749)
PTN000000072

>  <COMPOUND_NUMBER> (2,749)
WAY-321099-A

>  <BAR_CODE_NO> (2,749)
296100

>  <LOCATION_CODE> (2,749)
PTNCS

>  <AMOUNT_CURRENT> (2,749)
32.5

$$$$
WAY-321111
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9958    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.4667    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
    0.4292    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    1.0125    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  3  1  0  0  0  0
  9  8  3  0  0  0  0
 10 11  3  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  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  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  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
  5  6  2  0  0  0  0
 20 13  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,750)
2575

>  <Formula> (2,750)
C17H20N4OS

>  <MolWeight> (2,750)
328.4319

>  <PCAT_CMPD_ID> (2,750)
WAY-321111

>  <CNC_ID> (2,750)
359397240

>  <transfer_container_id> (2,750)
PTN000000072

>  <COMPOUND_NUMBER> (2,750)
WAY-321111

>  <BAR_CODE_NO> (2,750)
296112

>  <LOCATION_CODE> (2,750)
PTNCS

>  <AMOUNT_CURRENT> (2,750)
32.5

$$$$
WAY-320725
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0204    0.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0204    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445   -1.4071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175    0.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445    1.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031    1.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175   -1.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307   -1.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1445    2.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175   -2.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0514   -2.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831    1.6308    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    3.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -3.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037   -0.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -0.3864    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
  7 13  1  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
 12 17  1  0  0  0  0
 13 18  3  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
  7 12  2  0  0  0  0
  9 14  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,751)
2576

>  <Formula> (2,751)
C17H21N3O2S

>  <MolWeight> (2,751)
331.43254

>  <PCAT_CMPD_ID> (2,751)
WAY-320725

>  <CNC_ID> (2,751)
359396859

>  <transfer_container_id> (2,751)
PTN000000072

>  <COMPOUND_NUMBER> (2,751)
WAY-320725

>  <BAR_CODE_NO> (2,751)
295726

>  <LOCATION_CODE> (2,751)
PTNCS

>  <AMOUNT_CURRENT> (2,751)
32.5

$$$$
WAY-321260
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6208   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.3958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -1.1667    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  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 16  2  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 12  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
  7  6  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,752)
2577

>  <Formula> (2,752)
C13H13NO4S

>  <MolWeight> (2,752)
279.31162

>  <PCAT_CMPD_ID> (2,752)
WAY-321260

>  <CNC_ID> (2,752)
359397386

>  <transfer_container_id> (2,752)
PTN000000072

>  <COMPOUND_NUMBER> (2,752)
WAY-321260

>  <BAR_CODE_NO> (2,752)
296261

>  <LOCATION_CODE> (2,752)
PTNCS

>  <AMOUNT_CURRENT> (2,752)
32.5

$$$$
WAY-321334
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.0421    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421    0.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0421    1.7783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593    1.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0421    0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593   -0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214    0.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8800    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8800    0.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3421    0.9300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924   -0.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3924   -1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3924    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579   -1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303   -2.7838    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4579    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924   -0.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
 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
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,753)
2578

>  <Formula> (2,753)
C15H12FNO2S

>  <MolWeight> (2,753)
289.3246832

>  <PCAT_CMPD_ID> (2,753)
WAY-321334

>  <CNC_ID> (2,753)
359397459

>  <transfer_container_id> (2,753)
PTN000000072

>  <COMPOUND_NUMBER> (2,753)
WAY-321334

>  <BAR_CODE_NO> (2,753)
296335

>  <LOCATION_CODE> (2,753)
PTNCS

>  <AMOUNT_CURRENT> (2,753)
32.5

$$$$
WAY-321342
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8248   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3075   -1.5493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3075   -0.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1524   -1.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1524   -0.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524   -0.3769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0765   -1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0592   -0.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3132   -1.7148    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5006   -0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8649    0.0817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3132    0.0817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8649    0.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408    1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408    2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    1.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    2.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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  8  2  0  0  0  0
 10 12  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,754)
2579

>  <Formula> (2,754)
C17H14N2O3S

>  <MolWeight> (2,754)
326.36966

>  <PCAT_CMPD_ID> (2,754)
WAY-321342

>  <CNC_ID> (2,754)
359397467

>  <transfer_container_id> (2,754)
PTN000000072

>  <COMPOUND_NUMBER> (2,754)
WAY-321342

>  <BAR_CODE_NO> (2,754)
296343

>  <LOCATION_CODE> (2,754)
PTNCS

>  <AMOUNT_CURRENT> (2,754)
32.5

$$$$
WAY-321463
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.8500   -1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    3.5708    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  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  4  1  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  5  1  0  0  0  0
 13 11  3  0  0  0  0
 14 10  1  0  0  0  0
 15  9  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  8  2  0  0  0  0
 20  6  1  0  0  0  0
 21 16  1  0  0  0  0
 22 16  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 25  1  0  0  0  0
 15 14  1  0  0  0  0
  2  6  1  0  0  0  0
  8 17  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,755)
2580

>  <Formula> (2,755)
C20H20N6O

>  <MolWeight> (2,755)
360.4124

>  <PCAT_CMPD_ID> (2,755)
WAY-321463

>  <CNC_ID> (2,755)
359397587

>  <transfer_container_id> (2,755)
PTN000000072

>  <COMPOUND_NUMBER> (2,755)
WAY-321463

>  <BAR_CODE_NO> (2,755)
296464

>  <LOCATION_CODE> (2,755)
PTNCS

>  <AMOUNT_CURRENT> (2,755)
32.5

$$$$
WAY-321514
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6100    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100    1.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486   -0.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3721    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9175   -1.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100   -1.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1342   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100    2.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9175   -2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6796   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100    3.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6796   -2.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 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
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,756)
2581

>  <Formula> (2,756)
C14H23N5O

>  <MolWeight> (2,756)
277.36532

>  <PCAT_CMPD_ID> (2,756)
WAY-321514

>  <CNC_ID> (2,756)
359397637

>  <transfer_container_id> (2,756)
PTN000000072

>  <COMPOUND_NUMBER> (2,756)
WAY-321514

>  <BAR_CODE_NO> (2,756)
296515

>  <LOCATION_CODE> (2,756)
PTNCS

>  <AMOUNT_CURRENT> (2,756)
32.5

$$$$
WAY-321954
csChFnd80/11182011152D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.1500   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -2.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8477   -2.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8875    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
    1.8500   -1.2667    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  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  3  0  0  0  0
 10  8  3  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 13  1  0  0  0  0
 15 13  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,757)
2582

>  <Formula> (2,757)
C10H12N4S

>  <MolWeight> (2,757)
220.29408

>  <PCAT_CMPD_ID> (2,757)
WAY-321954

>  <CNC_ID> (2,757)
359398059

>  <transfer_container_id> (2,757)
PTN000000072

>  <COMPOUND_NUMBER> (2,757)
WAY-321954

>  <BAR_CODE_NO> (2,757)
296955

>  <LOCATION_CODE> (2,757)
PTNCS

>  <AMOUNT_CURRENT> (2,757)
32.5

$$$$
WAY-321959
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    1.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1552    1.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -1.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138    2.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207    1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    2.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -2.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -2.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.5050    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
  4 10  1  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
  7  9  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,758)
2583

>  <Formula> (2,758)
C11H12N2

>  <MolWeight> (2,758)
172.22638

>  <PCAT_CMPD_ID> (2,758)
WAY-321959

>  <CNC_ID> (2,758)
359398064

>  <transfer_container_id> (2,758)
PTN000000072

>  <COMPOUND_NUMBER> (2,758)
WAY-321959

>  <BAR_CODE_NO> (2,758)
296960

>  <LOCATION_CODE> (2,758)
PTNCS

>  <AMOUNT_CURRENT> (2,758)
32.5

$$$$
WAY-322452
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1690    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277    0.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620    0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277    1.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620   -0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277   -1.1133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378   -0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620    1.5971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7104    0.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622    2.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3206   -0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7104   -1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7104    1.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    3.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5656    3.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -0.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    0.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5622   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3206   -1.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896   -0.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4104   -1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -2.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -1.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896   -2.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  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
 15 21  1  0  0  0  0
 19 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
 23 26  2  0  0  0  0
 25 27  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
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,759)
2584

>  <Formula> (2,759)
C22H24N2O3

>  <MolWeight> (2,759)
364.43756

>  <PCAT_CMPD_ID> (2,759)
WAY-322452

>  <CNC_ID> (2,759)
359398543

>  <transfer_container_id> (2,759)
PTN000000072

>  <COMPOUND_NUMBER> (2,759)
WAY-322452

>  <BAR_CODE_NO> (2,759)
297453

>  <LOCATION_CODE> (2,759)
PTNCS

>  <AMOUNT_CURRENT> (2,759)
32.5

$$$$
WAY-322921
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.2833   -0.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8000   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.4333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9042    0.4333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8000    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.0708    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
   -1.4000   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    2.3458    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  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  2  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  4  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 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 15  2  0  0  0  0
 21 14  1  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
 25 20  1  0  0  0  0
  4  6  1  0  0  0  0
 21 25  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,760)
2585

>  <Formula> (2,760)
C21H22O4

>  <MolWeight> (2,760)
338.39698

>  <PCAT_CMPD_ID> (2,760)
WAY-322921

>  <CNC_ID> (2,760)
359398994

>  <transfer_container_id> (2,760)
PTN000000072

>  <COMPOUND_NUMBER> (2,760)
WAY-322921

>  <BAR_CODE_NO> (2,760)
297922

>  <LOCATION_CODE> (2,760)
PTNCS

>  <AMOUNT_CURRENT> (2,760)
32.5

$$$$
WAY-322923
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6125    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    0.3708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5333    0.4208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5208   -0.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2833    3.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    3.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    1.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042    0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -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  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  3  1  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 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  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  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20 12  1  0  0  0  0
 21 15  1  0  0  0  0
 22 10  1  0  0  0  0
 23 13  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
  6  7  1  0  0  0  0
  4  9  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,761)
2586

>  <Formula> (2,761)
C19H24N2O4

>  <MolWeight> (2,761)
344.40486

>  <PCAT_CMPD_ID> (2,761)
WAY-322923

>  <CNC_ID> (2,761)
359398996

>  <transfer_container_id> (2,761)
PTN000000072

>  <COMPOUND_NUMBER> (2,761)
WAY-322923

>  <BAR_CODE_NO> (2,761)
297924

>  <LOCATION_CODE> (2,761)
PTNCS

>  <AMOUNT_CURRENT> (2,761)
32.5

$$$$
WAY-322960
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.9000    0.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7167   -0.6167    0.0000 N   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
    1.1542    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.1708    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
    2.9875   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -4.0542    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  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  1  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  1  1  0  0  0  0
 14 11  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  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  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
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 25  2  0  0  0  0
  2  5  1  0  0  0  0
 19 24  2  0  0  0  0
 16 14  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,762)
2587

>  <Formula> (2,762)
C22H19NO4

>  <MolWeight> (2,762)
361.39056

>  <PCAT_CMPD_ID> (2,762)
WAY-322960

>  <CNC_ID> (2,762)
359399033

>  <transfer_container_id> (2,762)
PTN000000072

>  <COMPOUND_NUMBER> (2,762)
WAY-322960

>  <BAR_CODE_NO> (2,762)
297961

>  <LOCATION_CODE> (2,762)
PTNCS

>  <AMOUNT_CURRENT> (2,762)
32.5

$$$$
WAY-323007
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.4708    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.6000    0.0000 C   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
   -2.3458    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7208    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1167    0.5833    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  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  1  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  3  2  0  0  0  0
 14  8  2  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 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
  4 13  1  0  0  0  0
 10  7  2  0  0  0  0
 12 11  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,763)
2588

>  <Formula> (2,763)
C18H18O3

>  <MolWeight> (2,763)
282.33372

>  <PCAT_CMPD_ID> (2,763)
WAY-323007

>  <CNC_ID> (2,763)
359399078

>  <transfer_container_id> (2,763)
PTN000000072

>  <COMPOUND_NUMBER> (2,763)
WAY-323007

>  <BAR_CODE_NO> (2,763)
298008

>  <LOCATION_CODE> (2,763)
PTNCS

>  <AMOUNT_CURRENT> (2,763)
32.5

$$$$
WAY-323015
csChFnd80/11182011152D

 21 24  0  0  0  0  0  0  0  0999 V2000
    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
    3.3167   -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
    4.0292   -0.1375    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
    1.1042   -0.3000    0.0000 O   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
    2.6042   -0.1375    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   -1.6292    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
    2.6042   -1.7875    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
    4.0375   -2.6167    0.0000 C   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
    5.4542   -1.7875    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
    4.7500   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -2.6167    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  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  5  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  7  1  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  9  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 15  1  0  0  0  0
 21 17  1  0  0  0  0
 13  4  1  0  0  0  0
  6 10  2  0  0  0  0
 12 11  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,764)
2589

>  <Formula> (2,764)
C18H18O3

>  <MolWeight> (2,764)
282.33372

>  <PCAT_CMPD_ID> (2,764)
WAY-323015

>  <CNC_ID> (2,764)
359399086

>  <transfer_container_id> (2,764)
PTN000000072

>  <COMPOUND_NUMBER> (2,764)
WAY-323015

>  <BAR_CODE_NO> (2,764)
298016

>  <LOCATION_CODE> (2,764)
PTNCS

>  <AMOUNT_CURRENT> (2,764)
32.5

$$$$
WAY-323030
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2542   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   -3.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -4.3792    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  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  6  2  0  0  0  0
 10  3  2  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  8  2  0  0  0  0
 15  3  1  0  0  0  0
 16  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 11 12  2  0  0  0  0
  4 13  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,765)
2590

>  <Formula> (2,765)
C16H16O3

>  <MolWeight> (2,765)
256.29644

>  <PCAT_CMPD_ID> (2,765)
WAY-323030

>  <CNC_ID> (2,765)
359399101

>  <transfer_container_id> (2,765)
PTN000000072

>  <COMPOUND_NUMBER> (2,765)
WAY-323030

>  <BAR_CODE_NO> (2,765)
298031

>  <LOCATION_CODE> (2,765)
PTNCS

>  <AMOUNT_CURRENT> (2,765)
32.5

$$$$
WAY-323038
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.1167   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.6542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -1.4292    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  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> (2,766)
2591

>  <Formula> (2,766)
C12H9FN4O

>  <MolWeight> (2,766)
244.2244632

>  <PCAT_CMPD_ID> (2,766)
WAY-323038

>  <CNC_ID> (2,766)
359399109

>  <transfer_container_id> (2,766)
PTN000000072

>  <COMPOUND_NUMBER> (2,766)
WAY-323038

>  <BAR_CODE_NO> (2,766)
298039

>  <LOCATION_CODE> (2,766)
PTNCS

>  <AMOUNT_CURRENT> (2,766)
32.5

$$$$
WAY-323040
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.0500   -1.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3375   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -2.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -0.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -2.7875    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
    0.9167   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -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  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
 19 17  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> (2,767)
2592

>  <Formula> (2,767)
C13H12N4O2

>  <MolWeight> (2,767)
256.25998

>  <PCAT_CMPD_ID> (2,767)
WAY-323040

>  <CNC_ID> (2,767)
359399111

>  <transfer_container_id> (2,767)
PTN000000072

>  <COMPOUND_NUMBER> (2,767)
WAY-323040

>  <BAR_CODE_NO> (2,767)
298041

>  <LOCATION_CODE> (2,767)
PTNCS

>  <AMOUNT_CURRENT> (2,767)
32.5

$$$$
WAY-323041
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.3605   -1.8955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061   -0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5313   -1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8939   -0.7580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439   -0.0829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1312   -0.3996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728    0.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4895    1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0105   -0.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895    1.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3561    0.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272   -2.8455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7312    2.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8855   -1.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    0.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4812    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895   -1.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478    2.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3689    1.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7353    1.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0147   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2563    0.3420    0.0000 C   0  0  0  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  2  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  7  2  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 11  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  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 16  2  0  0  0  0
 21 19  2  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
  5  4  1  0  0  0  0
 23 22  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,768)
2593

>  <Formula> (2,768)
C16H15N5O2

>  <MolWeight> (2,768)
309.3226

>  <PCAT_CMPD_ID> (2,768)
WAY-323041

>  <CNC_ID> (2,768)
359399112

>  <transfer_container_id> (2,768)
PTN000000072

>  <COMPOUND_NUMBER> (2,768)
WAY-323041

>  <BAR_CODE_NO> (2,768)
298042

>  <LOCATION_CODE> (2,768)
PTNCS

>  <AMOUNT_CURRENT> (2,768)
32.5

$$$$
WAY-323095
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.2669   -0.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664    0.4788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044   -0.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1039   -0.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2544   -1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1039   -2.0712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664    1.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8206   -2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669   -0.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544   -1.4629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456   -2.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961    2.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7956    1.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7956    2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1456    2.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664    2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1706    3.6496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3836    1.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9664   -3.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1456   -1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456   -2.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -3.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4544    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961    1.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8831   -1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2664   -2.0004    0.0000 C   0  0  0  0  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  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  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  5  2  0  0  0  0
 22  6  2  0  0  0  0
 23 14  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 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
  4  6  1  0  0  0  0
 22 28  1  0  0  0  0
 19 17  1  0  0  0  0
 25 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,769)
2594

>  <Formula> (2,769)
C23H18ClN3O3

>  <MolWeight> (2,769)
419.86032

>  <PCAT_CMPD_ID> (2,769)
WAY-323095

>  <CNC_ID> (2,769)
359399166

>  <transfer_container_id> (2,769)
PTN000000072

>  <COMPOUND_NUMBER> (2,769)
WAY-323095

>  <BAR_CODE_NO> (2,769)
298096

>  <LOCATION_CODE> (2,769)
PTNCS

>  <AMOUNT_CURRENT> (2,769)
32.5

$$$$
WAY-323117
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.1542   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -1.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9042   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9792   -1.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -2.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -2.1500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2375   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667   -0.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    1.5958    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  2  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  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  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 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  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
  9 10  1  0  0  0  0
  4  2  1  0  0  0  0
 13 11  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,770)
2595

>  <Formula> (2,770)
C15H11NO5S2

>  <MolWeight> (2,770)
349.38154

>  <PCAT_CMPD_ID> (2,770)
WAY-323117

>  <CNC_ID> (2,770)
359399188

>  <transfer_container_id> (2,770)
PTN000000072

>  <COMPOUND_NUMBER> (2,770)
WAY-323117

>  <BAR_CODE_NO> (2,770)
298118

>  <LOCATION_CODE> (2,770)
PTNCS

>  <AMOUNT_CURRENT> (2,770)
32.5

$$$$
WAY-323131
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.9500   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.8667    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
    0.6500   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875   -1.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.9958    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  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  8  2  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  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  2  0  0  0  0
 16 19  1  0  0  0  0
 17 16  2  0  0  0  0
 18 25  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  9  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  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
  3  5  1  0  0  0  0
  7  4  2  0  0  0  0
 22 29  1  0  0  0  0
 12 10  2  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,771)
2596

>  <Formula> (2,771)
C20H22N4O3S2

>  <MolWeight> (2,771)
430.54368

>  <PCAT_CMPD_ID> (2,771)
WAY-323131

>  <CNC_ID> (2,771)
359399202

>  <transfer_container_id> (2,771)
PTN000000072

>  <COMPOUND_NUMBER> (2,771)
WAY-323131

>  <BAR_CODE_NO> (2,771)
298132

>  <LOCATION_CODE> (2,771)
PTNCS

>  <AMOUNT_CURRENT> (2,771)
32.5

$$$$
WAY-323136
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.6958    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.6833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -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  3  2  0  0  0  0
  5  9  2  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  8  1  0  0  0  0
 10 18  1  0  0  0  0
 11  4  1  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14  3  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 17  2  0  0  0  0
 19 12  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
  7 11  2  0  0  0  0
 10  6  2  0  0  0  0
M  END
>  <Mol_ID> (2,772)
2597

>  <Formula> (2,772)
C13H14N4O4S

>  <MolWeight> (2,772)
322.33966

>  <PCAT_CMPD_ID> (2,772)
WAY-323136

>  <CNC_ID> (2,772)
359399207

>  <transfer_container_id> (2,772)
PTN000000072

>  <COMPOUND_NUMBER> (2,772)
WAY-323136

>  <BAR_CODE_NO> (2,772)
298137

>  <LOCATION_CODE> (2,772)
PTNCS

>  <AMOUNT_CURRENT> (2,772)
32.5

$$$$
WAY-323146
csChFnd80/11182011152D

 22 25  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
    5.7167   -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
    7.1500   -1.4875    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
    7.1500   -2.3042    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
    8.5667   -1.4792    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
    7.8542   -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  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  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 16  2  0  0  0  0
 21 22  2  0  0  0  0
 22 18  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
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,773)
2598

>  <Formula> (2,773)
C15H14N6O

>  <MolWeight> (2,773)
294.31126

>  <PCAT_CMPD_ID> (2,773)
WAY-323146

>  <CNC_ID> (2,773)
359399217

>  <transfer_container_id> (2,773)
PTN000000072

>  <COMPOUND_NUMBER> (2,773)
WAY-323146

>  <BAR_CODE_NO> (2,773)
298147

>  <LOCATION_CODE> (2,773)
PTNCS

>  <AMOUNT_CURRENT> (2,773)
32.5

$$$$
WAY-323147
csChFnd80/11182011152D

 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> (2,774)
2599

>  <Formula> (2,774)
C16H16N6O

>  <MolWeight> (2,774)
308.33784

>  <PCAT_CMPD_ID> (2,774)
WAY-323147

>  <CNC_ID> (2,774)
359399218

>  <transfer_container_id> (2,774)
PTN000000072

>  <COMPOUND_NUMBER> (2,774)
WAY-323147

>  <BAR_CODE_NO> (2,774)
298148

>  <LOCATION_CODE> (2,774)
PTNCS

>  <AMOUNT_CURRENT> (2,774)
32.5

$$$$
WAY-323218
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1989    0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614   -1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4989   -0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511    0.1834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5364    0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6886   -1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9886   -0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239   -0.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489    0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8239   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739    0.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1261   -1.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1761   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261   -0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761   -1.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5197    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864    2.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239    2.1917    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  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 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  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 15  2  0  0  0  0
 19 18  1  0  0  0  0
  2  6  2  0  0  0  0
  9 10  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,775)
2600

>  <Formula> (2,775)
C13H10N4OS

>  <MolWeight> (2,775)
270.3097

>  <PCAT_CMPD_ID> (2,775)
WAY-323218

>  <CNC_ID> (2,775)
359399288

>  <transfer_container_id> (2,775)
PTN000000072

>  <COMPOUND_NUMBER> (2,775)
WAY-323218

>  <BAR_CODE_NO> (2,775)
298219

>  <LOCATION_CODE> (2,775)
PTNCS

>  <AMOUNT_CURRENT> (2,775)
32.5

$$$$
WAY-604058
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0250   -0.0417    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
   -0.6958    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    1.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.3708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0250   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    2.0208    0.0000 N   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
   -1.4083   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    2.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.2792    0.0000 O   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
   -2.8333   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.8667    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  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  3  0  0  0  0
 10  2  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 16  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  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 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 22  1  0  0  0  0
 25 19  1  0  0  0  0
 26 18  2  0  0  0  0
 27 25  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,776)
2601

>  <Formula> (2,776)
C21H19N3O2S

>  <MolWeight> (2,776)
377.45946

>  <PCAT_CMPD_ID> (2,776)
WAY-604058

>  <CNC_ID> (2,776)
359401893

>  <transfer_container_id> (2,776)
PTN000000072

>  <COMPOUND_NUMBER> (2,776)
WAY-604058

>  <BAR_CODE_NO> (2,776)
90437632

>  <LOCATION_CODE> (2,776)
PTNCS

>  <AMOUNT_CURRENT> (2,776)
32.8

$$$$
WAY-604069
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.3583   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.1833    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
    1.9792    0.1833    0.0000 C   0  0  0  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
    2.3917    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.8958    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
    3.6292    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -0.5292    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  2  2  0  0  0  0
  7  4  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  5  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  2  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 18  1  0  0  0  0
  3  2  1  0  0  0  0
 20 19  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,777)
2602

>  <Formula> (2,777)
C16H18N2O2

>  <MolWeight> (2,777)
270.32632

>  <PCAT_CMPD_ID> (2,777)
WAY-604069

>  <CNC_ID> (2,777)
359401904

>  <transfer_container_id> (2,777)
PTN000000072

>  <COMPOUND_NUMBER> (2,777)
WAY-604069

>  <BAR_CODE_NO> (2,777)
90437644

>  <LOCATION_CODE> (2,777)
PTNCS

>  <AMOUNT_CURRENT> (2,777)
32.6

$$$$
WAY-604127
csChFnd80/11182011152D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -0.5554    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5761    1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3761   -0.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864   -0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5826   -0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864    2.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6761   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554    0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6446    0.4659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5826   -1.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554    1.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0554    1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6864   -0.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7722   -0.1824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9446    0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550   -1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -0.2030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9136   -2.2341    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
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  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  1  0  0  0  0
M  END
>  <Mol_ID> (2,778)
2603

>  <Formula> (2,778)
C13H18N4O

>  <MolWeight> (2,778)
246.30822

>  <PCAT_CMPD_ID> (2,778)
WAY-604127

>  <CNC_ID> (2,778)
359401962

>  <transfer_container_id> (2,778)
PTN000000072

>  <COMPOUND_NUMBER> (2,778)
WAY-604127

>  <BAR_CODE_NO> (2,778)
90437704

>  <LOCATION_CODE> (2,778)
PTNCS

>  <AMOUNT_CURRENT> (2,778)
32.5

$$$$
WAY-604272
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6750   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    2.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208    0.5000    0.0000 N   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
   -0.3583   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    4.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875    4.3417    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  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  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  2  0  0  0  0
 15 22  1  0  0  0  0
 16 11  1  0  0  0  0
 17  3  1  0  0  0  0
 18 11  2  0  0  0  0
 19  5  1  0  0  0  0
 20 28  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  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
  9  7  1  0  0  0  0
  3  4  1  0  0  0  0
 15 21  2  0  0  0  0
 20 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,779)
2604

>  <Formula> (2,779)
C19H22N6O4

>  <MolWeight> (2,779)
398.41578

>  <PCAT_CMPD_ID> (2,779)
WAY-604272

>  <CNC_ID> (2,779)
359402107

>  <transfer_container_id> (2,779)
PTN000000072

>  <COMPOUND_NUMBER> (2,779)
WAY-604272

>  <BAR_CODE_NO> (2,779)
90437855

>  <LOCATION_CODE> (2,779)
PTNCS

>  <AMOUNT_CURRENT> (2,779)
32.4

$$$$
WAY-604346
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.6917    2.5458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    3.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -3.8292    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
    0.9167    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    4.4042    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 16  1  0  0  0  0
  7  3  1  0  0  0  0
  8 13  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  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17  7  2  0  0  0  0
 18  6  2  0  0  0  0
 19  8  2  0  0  0  0
 20  9  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  2  0  0  0  0
 23  5  1  0  0  0  0
 24  7  1  0  0  0  0
 25 27  2  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 15  1  0  0  0  0
 30 17  1  0  0  0  0
 31 23  2  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
 15 20  1  0  0  0  0
 25 13  1  0  0  0  0
 34 29  2  0  0  0  0
 28 17  1  0  0  0  0
 33 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,780)
2605

>  <Formula> (2,780)
C26H24N2O5S

>  <MolWeight> (2,780)
476.54416

>  <PCAT_CMPD_ID> (2,780)
WAY-604346

>  <CNC_ID> (2,780)
359402181

>  <transfer_container_id> (2,780)
PTN000000072

>  <COMPOUND_NUMBER> (2,780)
WAY-604346

>  <BAR_CODE_NO> (2,780)
90437930

>  <LOCATION_CODE> (2,780)
PTNCS

>  <AMOUNT_CURRENT> (2,780)
33

$$$$
WAY-603601
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.4083    0.5708    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
   -0.4083   -0.2542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    1.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.7208    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
    1.6792    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    2.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -3.3042    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  5  1  0  0  0  0
  7  1  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  6  2  0  0  0  0
 12  8  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  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
  4  2  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,781)
2606

>  <Formula> (2,781)
C13H13NO3S2

>  <MolWeight> (2,781)
295.37722

>  <PCAT_CMPD_ID> (2,781)
WAY-603601

>  <CNC_ID> (2,781)
359401433

>  <transfer_container_id> (2,781)
PTN000000072

>  <COMPOUND_NUMBER> (2,781)
WAY-603601

>  <BAR_CODE_NO> (2,781)
90437156

>  <LOCATION_CODE> (2,781)
PTNCS

>  <AMOUNT_CURRENT> (2,781)
32.7

$$$$
WAY-603677
csChFnd80/11182011152D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.5958    2.2458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -3.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    2.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -3.9417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -3.9417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -4.7667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    3.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.8333    0.0000 C   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
  2  5  2  0  0  0  0
  3 12  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  1  1  0  0  0  0
  9 10  2  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  1  2  0  0  0  0
 14  1  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  7  2  0  0  0  0
 19 11  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 27  1  0  0  0  0
 24  6  1  0  0  0  0
 25  6  1  0  0  0  0
 26  8  2  0  0  0  0
 27 25  1  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
 23 28  1  0  0  0  0
 30 17  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
>  <Mol_ID> (2,782)
2607

>  <Formula> (2,782)
C18H18F3N3O5S

>  <MolWeight> (2,782)
445.4128296

>  <PCAT_CMPD_ID> (2,782)
WAY-603677

>  <CNC_ID> (2,782)
359401509

>  <transfer_container_id> (2,782)
PTN000000072

>  <COMPOUND_NUMBER> (2,782)
WAY-603677

>  <BAR_CODE_NO> (2,782)
90437234

>  <LOCATION_CODE> (2,782)
PTNCS

>  <AMOUNT_CURRENT> (2,782)
32.9

$$$$
WAY-603680
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.1917    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.2208    0.0000 N   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
   -0.2333   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -0.2542    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  3  1  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  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  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 17  1  0  0  0  0
  5  4  2  0  0  0  0
 18 19  1  0  0  0  0
 15  7  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,783)
2608

>  <Formula> (2,783)
C17H18N2

>  <MolWeight> (2,783)
250.33822

>  <PCAT_CMPD_ID> (2,783)
WAY-603680

>  <CNC_ID> (2,783)
359401512

>  <transfer_container_id> (2,783)
PTN000000072

>  <COMPOUND_NUMBER> (2,783)
WAY-603680

>  <BAR_CODE_NO> (2,783)
90437237

>  <LOCATION_CODE> (2,783)
PTNCS

>  <AMOUNT_CURRENT> (2,783)
32.8

$$$$
WAY-603681
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1875    0.7958    0.0000 N   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
   -0.2333   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792    1.4083    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  5  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  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  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
  5  3  1  0  0  0  0
 14  7  2  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,784)
2609

>  <Formula> (2,784)
C16H18N2

>  <MolWeight> (2,784)
238.32752

>  <PCAT_CMPD_ID> (2,784)
WAY-603681

>  <CNC_ID> (2,784)
359401513

>  <transfer_container_id> (2,784)
PTN000000072

>  <COMPOUND_NUMBER> (2,784)
WAY-603681

>  <BAR_CODE_NO> (2,784)
90437238

>  <LOCATION_CODE> (2,784)
PTNCS

>  <AMOUNT_CURRENT> (2,784)
32.2

$$$$
WAY-603741
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.3250    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -2.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.6917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    2.7458    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
   -2.5333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.0958    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  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  1  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  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 21  1  0  0  0  0
 17  8  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 18  1  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
 10 11  1  0  0  0  0
 16 22  1  0  0  0  0
 23 24  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,785)
2610

>  <Formula> (2,785)
C17H16N4O2S

>  <MolWeight> (2,785)
340.39954

>  <PCAT_CMPD_ID> (2,785)
WAY-603741

>  <CNC_ID> (2,785)
359401577

>  <transfer_container_id> (2,785)
PTN000000072

>  <COMPOUND_NUMBER> (2,785)
WAY-603741

>  <BAR_CODE_NO> (2,785)
90437302

>  <LOCATION_CODE> (2,785)
PTNCS

>  <AMOUNT_CURRENT> (2,785)
32.9

$$$$
WAY-603763
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.0285   -1.9421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389   -1.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1354   -2.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2078   -1.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906   -2.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044   -3.1249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3975   -3.5869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3354   -0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4680    0.2303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3404    1.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439    1.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665    1.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0370    2.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0508    1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404    3.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8508    2.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232    3.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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
  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
  5  7  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,786)
2611

>  <Formula> (2,786)
C12H12N2O3S

>  <MolWeight> (2,786)
264.30028

>  <PCAT_CMPD_ID> (2,786)
WAY-603763

>  <CNC_ID> (2,786)
359401599

>  <transfer_container_id> (2,786)
PTN000000072

>  <COMPOUND_NUMBER> (2,786)
WAY-603763

>  <BAR_CODE_NO> (2,786)
90437325

>  <LOCATION_CODE> (2,786)
PTNCS

>  <AMOUNT_CURRENT> (2,786)
32.7

$$$$
WAY-603781
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0667    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9042    2.4083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9125   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -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  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8 13  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 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  4  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 12  1  0  0  0  0
 20 15  2  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
  5  4  2  0  0  0  0
 21 20  1  0  0  0  0
 17 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,787)
2612

>  <Formula> (2,787)
C18H23N3O2

>  <MolWeight> (2,787)
313.39412

>  <PCAT_CMPD_ID> (2,787)
WAY-603781

>  <CNC_ID> (2,787)
359401617

>  <transfer_container_id> (2,787)
PTN000000072

>  <COMPOUND_NUMBER> (2,787)
WAY-603781

>  <BAR_CODE_NO> (2,787)
90437344

>  <LOCATION_CODE> (2,787)
PTNCS

>  <AMOUNT_CURRENT> (2,787)
32.1

$$$$
WAY-603783
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0667    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    1.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    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  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  3  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  9  1  0  0  0  0
 12  9  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 13  1  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  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  2  0  0  0  0
  5  4  2  0  0  0  0
 22 23  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,788)
2613

>  <Formula> (2,788)
C18H15N3O2

>  <MolWeight> (2,788)
305.3306

>  <PCAT_CMPD_ID> (2,788)
WAY-603783

>  <CNC_ID> (2,788)
359401619

>  <transfer_container_id> (2,788)
PTN000000072

>  <COMPOUND_NUMBER> (2,788)
WAY-603783

>  <BAR_CODE_NO> (2,788)
90437346

>  <LOCATION_CODE> (2,788)
PTNCS

>  <AMOUNT_CURRENT> (2,788)
32.6

$$$$
WAY-603828
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.2333    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.3250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6125   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -2.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    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  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  1  1  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  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  2  0  0  0  0
 14  5  2  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 25  1  0  0  0  0
 19  3  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22  6  1  0  0  0  0
 23 27  1  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 24  2  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
  3  4  1  0  0  0  0
 23 10  2  0  0  0  0
 32 31  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,789)
2614

>  <Formula> (2,789)
C22H24N4O5S

>  <MolWeight> (2,789)
456.51476

>  <PCAT_CMPD_ID> (2,789)
WAY-603828

>  <CNC_ID> (2,789)
359401664

>  <transfer_container_id> (2,789)
PTN000000072

>  <COMPOUND_NUMBER> (2,789)
WAY-603828

>  <BAR_CODE_NO> (2,789)
90437394

>  <LOCATION_CODE> (2,789)
PTNCS

>  <AMOUNT_CURRENT> (2,789)
32.8

$$$$
WAY-603861
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.8458    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.1250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1125    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -0.2875    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
    0.8042   -1.3042    0.0000 N   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
    1.2167   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -1.3042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -2.0167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    0.8458    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  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  3  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  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 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16  5  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
 20 17  2  0  0  0  0
 21 16  2  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  6  5  2  0  0  0  0
 20 21  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,790)
2615

>  <Formula> (2,790)
C17H13F2N3O

>  <MolWeight> (2,790)
313.3014264

>  <PCAT_CMPD_ID> (2,790)
WAY-603861

>  <CNC_ID> (2,790)
359401697

>  <transfer_container_id> (2,790)
PTN000000072

>  <COMPOUND_NUMBER> (2,790)
WAY-603861

>  <BAR_CODE_NO> (2,790)
90437430

>  <LOCATION_CODE> (2,790)
PTNCS

>  <AMOUNT_CURRENT> (2,790)
33

$$$$
WAY-603862
csChFnd80/11182011152D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.7667   -0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    0.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.7750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2875   -1.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2125    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583    2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -3.3792    0.0000 C   0  0  0  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  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  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  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 26  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 26 18  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
 30 24  2  0  0  0  0
  5  3  1  0  0  0  0
 15 16  1  0  0  0  0
 30 25  1  0  0  0  0
 23 17  2  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,791)
2616

>  <Formula> (2,791)
C26H23N3O

>  <MolWeight> (2,791)
393.48032

>  <PCAT_CMPD_ID> (2,791)
WAY-603862

>  <CNC_ID> (2,791)
359401698

>  <transfer_container_id> (2,791)
PTN000000072

>  <COMPOUND_NUMBER> (2,791)
WAY-603862

>  <BAR_CODE_NO> (2,791)
90437431

>  <LOCATION_CODE> (2,791)
PTNCS

>  <AMOUNT_CURRENT> (2,791)
32.3

$$$$
WAY-603870
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.6375   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -2.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.9208    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
   -1.3500   -2.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    2.1583    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  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 18  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  3  0  0  0  0
 12 10  3  0  0  0  0
 13 15  3  0  0  0  0
 14  8  1  0  0  0  0
 15 23  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  1  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
 23  6  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
  4  5  2  0  0  0  0
  8 19  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,792)
2617

>  <Formula> (2,792)
C19H16FN7

>  <MolWeight> (2,792)
361.3756432

>  <PCAT_CMPD_ID> (2,792)
WAY-603870

>  <CNC_ID> (2,792)
359401706

>  <transfer_container_id> (2,792)
PTN000000072

>  <COMPOUND_NUMBER> (2,792)
WAY-603870

>  <BAR_CODE_NO> (2,792)
90437439

>  <LOCATION_CODE> (2,792)
PTNCS

>  <AMOUNT_CURRENT> (2,792)
33

$$$$
WAY-603873
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.9875   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    1.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333   -2.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    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  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 19  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  3  0  0  0  0
 12 10  3  0  0  0  0
 13 15  3  0  0  0  0
 14  8  1  0  0  0  0
 15 22  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 14  2  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
 24 14  1  0  0  0  0
 25 20  1  0  0  0  0
 26 23  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  5  1  0  0  0  0
 18  8  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,793)
2618

>  <Formula> (2,793)
C21H21N7O

>  <MolWeight> (2,793)
387.43774

>  <PCAT_CMPD_ID> (2,793)
WAY-603873

>  <CNC_ID> (2,793)
359401709

>  <transfer_container_id> (2,793)
PTN000000072

>  <COMPOUND_NUMBER> (2,793)
WAY-603873

>  <BAR_CODE_NO> (2,793)
90437442

>  <LOCATION_CODE> (2,793)
PTNCS

>  <AMOUNT_CURRENT> (2,793)
32.6

$$$$
WAY-603891
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.6414    0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310   -0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724   -0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    2.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966   -0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -1.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    2.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690   -0.0072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -1.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    3.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -2.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2724   -1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6862   -0.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0414    1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6379   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -1.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0517    0.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2241   -1.6520    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  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  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
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 12  2  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,794)
2619

>  <Formula> (2,794)
C18H16ClNO3

>  <MolWeight> (2,794)
329.77754

>  <PCAT_CMPD_ID> (2,794)
WAY-603891

>  <CNC_ID> (2,794)
359401727

>  <transfer_container_id> (2,794)
PTN000000072

>  <COMPOUND_NUMBER> (2,794)
WAY-603891

>  <BAR_CODE_NO> (2,794)
90437461

>  <LOCATION_CODE> (2,794)
PTNCS

>  <AMOUNT_CURRENT> (2,794)
32.2

$$$$
WAY-604021
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.5500   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.5500    0.0000 O   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
   -2.8833    1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0458   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    0.2500    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 14  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  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 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12 19  1  0  0  0  0
 13 11  2  0  0  0  0
 14 21  2  0  0  0  0
 15  1  2  0  0  0  0
 16  1  2  0  0  0  0
 17  9  1  0  0  0  0
 18  3  2  0  0  0  0
 19 17  2  0  0  0  0
 20 10  2  0  0  0  0
 21 11  1  0  0  0  0
 22  2  1  0  0  0  0
 23  6  1  0  0  0  0
 24  8  1  0  0  0  0
 25  8  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 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 25  1  0  0  0  0
 32 24  1  0  0  0  0
 33 30  1  0  0  0  0
 32 31  1  0  0  0  0
 28 19  1  0  0  0  0
  4  7  2  0  0  0  0
  6  2  1  0  0  0  0
 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,795)
2620

>  <Formula> (2,795)
C24H26N4O4S

>  <MolWeight> (2,795)
466.55264

>  <PCAT_CMPD_ID> (2,795)
WAY-604021

>  <CNC_ID> (2,795)
359401856

>  <transfer_container_id> (2,795)
PTN000000072

>  <COMPOUND_NUMBER> (2,795)
WAY-604021

>  <BAR_CODE_NO> (2,795)
90437594

>  <LOCATION_CODE> (2,795)
PTNCS

>  <AMOUNT_CURRENT> (2,795)
32.8

$$$$
WAY-604398
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.8708   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -0.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3583   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -1.3042    0.0000 C   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
    3.0792    1.9625    0.0000 N   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
    2.6667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -2.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5708   -1.3042    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
  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  8  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 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  2  0  0  0  0
 17 15  1  0  0  0  0
 18  3  1  0  0  0  0
 19  9  2  0  0  0  0
 20 12  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  2  0  0  0  0
 23 14  2  0  0  0  0
 24  4  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
  4  7  2  0  0  0  0
 26 27  1  0  0  0  0
 13  8  2  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,796)
2621

>  <Formula> (2,796)
C19H12ClNO5S

>  <MolWeight> (2,796)
401.82028

>  <PCAT_CMPD_ID> (2,796)
WAY-604398

>  <CNC_ID> (2,796)
359402233

>  <transfer_container_id> (2,796)
PTN000000072

>  <COMPOUND_NUMBER> (2,796)
WAY-604398

>  <BAR_CODE_NO> (2,796)
90437983

>  <LOCATION_CODE> (2,796)
PTNCS

>  <AMOUNT_CURRENT> (2,796)
33

$$$$
WAY-604457
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.3583    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.1833    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
   -2.6333    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    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  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  8  1  0  0  0  0
  8 15  2  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  6  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 22  2  0  0  0  0
 17 19  1  0  0  0  0
 18  2  1  0  0  0  0
 19 12  1  0  0  0  0
 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22 15  1  0  0  0  0
 23  4  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  2  0  0  0  0
  4  5  2  0  0  0  0
 26 25  1  0  0  0  0
  9  7  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,797)
2622

>  <Formula> (2,797)
C21H21NO4

>  <MolWeight> (2,797)
351.39574

>  <PCAT_CMPD_ID> (2,797)
WAY-604457

>  <CNC_ID> (2,797)
359402292

>  <transfer_container_id> (2,797)
PTN000000072

>  <COMPOUND_NUMBER> (2,797)
WAY-604457

>  <BAR_CODE_NO> (2,797)
90438042

>  <LOCATION_CODE> (2,797)
PTNCS

>  <AMOUNT_CURRENT> (2,797)
32.5

$$$$
WAY-604481
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.6042   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -1.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -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  8  1  0  0  0  0
  4  2  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 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  2  0  0  0  0
 14  2  2  0  0  0  0
 15  8  2  0  0  0  0
 16  4  1  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  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 21  1  0  0  0  0
 23 18  2  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 20 23  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,798)
2623

>  <Formula> (2,798)
C18H13N3O2

>  <MolWeight> (2,798)
303.31472

>  <PCAT_CMPD_ID> (2,798)
WAY-604481

>  <CNC_ID> (2,798)
359402316

>  <transfer_container_id> (2,798)
PTN000000072

>  <COMPOUND_NUMBER> (2,798)
WAY-604481

>  <BAR_CODE_NO> (2,798)
90438066

>  <LOCATION_CODE> (2,798)
PTNCS

>  <AMOUNT_CURRENT> (2,798)
33

$$$$
WAY-604489
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.1208    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    3.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -2.5500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5167   -2.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2875   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.6042    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 12  1  0  0  0  0
  8  5  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 11  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  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  3  1  0  0  0  0
 19  8  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
  4  8  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,799)
2624

>  <Formula> (2,799)
C16H23NO4

>  <MolWeight> (2,799)
293.35812

>  <PCAT_CMPD_ID> (2,799)
WAY-604489

>  <CNC_ID> (2,799)
359402324

>  <transfer_container_id> (2,799)
PTN000000072

>  <COMPOUND_NUMBER> (2,799)
WAY-604489

>  <BAR_CODE_NO> (2,799)
90438074

>  <LOCATION_CODE> (2,799)
PTNCS

>  <AMOUNT_CURRENT> (2,799)
32.8

$$$$
WAY-604491
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.2167    0.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -2.0500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.7625    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
   -0.4958    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    2.9083    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 11  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 18  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 19  1  0  0  0  0
 18 17  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  2  0  0  0  0
 22  4  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  2  0  0  0  0
 27 24  2  0  0  0  0
 28 23  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
 31 30  1  0  0  0  0
 19 21  1  0  0  0  0
  8  7  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,800)
2625

>  <Formula> (2,800)
C22H19N3O4S2

>  <MolWeight> (2,800)
453.53396

>  <PCAT_CMPD_ID> (2,800)
WAY-604491

>  <CNC_ID> (2,800)
359402326

>  <transfer_container_id> (2,800)
PTN000000072

>  <COMPOUND_NUMBER> (2,800)
WAY-604491

>  <BAR_CODE_NO> (2,800)
90438076

>  <LOCATION_CODE> (2,800)
PTNCS

>  <AMOUNT_CURRENT> (2,800)
32.5

$$$$
WAY-604503
csChFnd80/11182011152D

 23 25  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    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    2.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -2.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -3.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -4.0417    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  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  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 20  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 18 14  1  0  0  0  0
 19 12  2  0  0  0  0
 20  8  1  0  0  0  0
 21  4  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
  3  5  1  0  0  0  0
 15 18  2  0  0  0  0
 16  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,801)
2626

>  <Formula> (2,801)
C18H17NO4

>  <MolWeight> (2,801)
311.33188

>  <PCAT_CMPD_ID> (2,801)
WAY-604503

>  <CNC_ID> (2,801)
359402338

>  <transfer_container_id> (2,801)
PTN000000072

>  <COMPOUND_NUMBER> (2,801)
WAY-604503

>  <BAR_CODE_NO> (2,801)
90438088

>  <LOCATION_CODE> (2,801)
PTNCS

>  <AMOUNT_CURRENT> (2,801)
32.6

$$$$
WAY-604652
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.3917   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875   -0.9792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1792   -1.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -3.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1792    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  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 14  2  0  0  0  0
 19 14  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 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  2  0  0  0  0
  5  4  1  0  0  0  0
 25 21  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,802)
2627

>  <Formula> (2,802)
C19H19N3O3

>  <MolWeight> (2,802)
337.37246

>  <PCAT_CMPD_ID> (2,802)
WAY-604652

>  <CNC_ID> (2,802)
359402487

>  <transfer_container_id> (2,802)
PTN000000072

>  <COMPOUND_NUMBER> (2,802)
WAY-604652

>  <BAR_CODE_NO> (2,802)
90438243

>  <LOCATION_CODE> (2,802)
PTNCS

>  <AMOUNT_CURRENT> (2,802)
32.2

$$$$
WAY-604852
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.8625    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.5167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -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  8  1  0  0  0  0
  6  5  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  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
 19 17  2  0  0  0  0
  7  5  2  0  0  0  0
  3 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,803)
2628

>  <Formula> (2,803)
C14H10FN3O

>  <MolWeight> (2,803)
255.2471032

>  <PCAT_CMPD_ID> (2,803)
WAY-604852

>  <CNC_ID> (2,803)
359402689

>  <transfer_container_id> (2,803)
PTN000000072

>  <COMPOUND_NUMBER> (2,803)
WAY-604852

>  <BAR_CODE_NO> (2,803)
90438445

>  <LOCATION_CODE> (2,803)
PTNCS

>  <AMOUNT_CURRENT> (2,803)
32.1

$$$$
WAY-604883
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.7000   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.0292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1500   -0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    4.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -2.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1042    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    1.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -2.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4042    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -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  8  1  0  0  0  0
  5  2  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 16  1  0  0  0  0
 15  5  1  0  0  0  0
 16  3  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19  5  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 20 15  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,804)
2629

>  <Formula> (2,804)
C16H23NO3S

>  <MolWeight> (2,804)
309.42372

>  <PCAT_CMPD_ID> (2,804)
WAY-604883

>  <CNC_ID> (2,804)
359402720

>  <transfer_container_id> (2,804)
PTN000000072

>  <COMPOUND_NUMBER> (2,804)
WAY-604883

>  <BAR_CODE_NO> (2,804)
90438476

>  <LOCATION_CODE> (2,804)
PTNCS

>  <AMOUNT_CURRENT> (2,804)
32.5

$$$$
WAY-605051
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -1.2250    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625   -2.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.0083    0.0000 C   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
    0.6000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  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  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8 12  1  0  0  0  0
  9  2  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  4  2  0  0  0  0
 14  5  1  0  0  0  0
 15  5  2  0  0  0  0
 16  8  2  0  0  0  0
 17 11  1  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  9  1  0  0  0  0
 22 10  1  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 24  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
 29 25  1  0  0  0  0
 13 17  1  0  0  0  0
 29 23  2  0  0  0  0
  3  7  1  0  0  0  0
 28 22  2  0  0  0  0
 26 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,805)
2630

>  <Formula> (2,805)
C24H22N2O3

>  <MolWeight> (2,805)
386.44308

>  <PCAT_CMPD_ID> (2,805)
WAY-605051

>  <CNC_ID> (2,805)
359402887

>  <transfer_container_id> (2,805)
PTN000000072

>  <COMPOUND_NUMBER> (2,805)
WAY-605051

>  <BAR_CODE_NO> (2,805)
90438646

>  <LOCATION_CODE> (2,805)
PTNCS

>  <AMOUNT_CURRENT> (2,805)
33

$$$$
WAY-605105
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.6042    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    1.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    1.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    2.3333    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  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  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  9  2  0  0  0  0
 14  8  2  0  0  0  0
 15  7  2  0  0  0  0
 16 11  2  0  0  0  0
 17 10  2  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
  3  5  2  0  0  0  0
 13 14  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,806)
2631

>  <Formula> (2,806)
C17H16N2O4S

>  <MolWeight> (2,806)
344.38494

>  <PCAT_CMPD_ID> (2,806)
WAY-605105

>  <CNC_ID> (2,806)
359402941

>  <transfer_container_id> (2,806)
PTN000000072

>  <COMPOUND_NUMBER> (2,806)
WAY-605105

>  <BAR_CODE_NO> (2,806)
90438701

>  <LOCATION_CODE> (2,806)
PTNCS

>  <AMOUNT_CURRENT> (2,806)
32.4

$$$$
WAY-605147
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.6503    1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4045    2.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4295    0.1244    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5622   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3503    1.1119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830   -1.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2372    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7378   -0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4497   -1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6170    1.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6503    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622   -0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622   -2.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4747   -1.9881    0.0000 C   0  0  0  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  4  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  3  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
 11 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,807)
2632

>  <Formula> (2,807)
C10H16N2OS2

>  <MolWeight> (2,807)
244.37684

>  <PCAT_CMPD_ID> (2,807)
WAY-605147

>  <CNC_ID> (2,807)
359402983

>  <transfer_container_id> (2,807)
PTN000000072

>  <COMPOUND_NUMBER> (2,807)
WAY-605147

>  <BAR_CODE_NO> (2,807)
90438745

>  <LOCATION_CODE> (2,807)
PTNCS

>  <AMOUNT_CURRENT> (2,807)
32.3

$$$$
WAY-605173
csChFnd80/11182011152D

 20 24  0  0  0  0  0  0  0  0999 V2000
    0.7417    0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.5500    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
    1.5250   -0.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -0.2750    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
    3.5500   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    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  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  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  2  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
  9  8  1  0  0  0  0
  4  5  1  0  0  0  0
 15 14  1  0  0  0  0
 10 12  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,808)
2633

>  <Formula> (2,808)
C14H13N3OS2

>  <MolWeight> (2,808)
303.40252

>  <PCAT_CMPD_ID> (2,808)
WAY-605173

>  <CNC_ID> (2,808)
359403009

>  <transfer_container_id> (2,808)
PTN000000072

>  <COMPOUND_NUMBER> (2,808)
WAY-605173

>  <BAR_CODE_NO> (2,808)
90438771

>  <LOCATION_CODE> (2,808)
PTNCS

>  <AMOUNT_CURRENT> (2,808)
32.3

$$$$
WAY-605244
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.7167    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.8583    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5250    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -2.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    2.6458    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6458    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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 10  3  0  0  0  0
  9  3  1  0  0  0  0
 10 16  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  2  0  0  0  0
 16 20  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  2  0  0  0  0
 23  5  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 14  9  2  0  0  0  0
 25 26  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,809)
2634

>  <Formula> (2,809)
C19H17N3O4

>  <MolWeight> (2,809)
351.35598

>  <PCAT_CMPD_ID> (2,809)
WAY-605244

>  <CNC_ID> (2,809)
359403080

>  <transfer_container_id> (2,809)
PTN000000072

>  <COMPOUND_NUMBER> (2,809)
WAY-605244

>  <BAR_CODE_NO> (2,809)
90438847

>  <LOCATION_CODE> (2,809)
PTNCS

>  <AMOUNT_CURRENT> (2,809)
32.4

$$$$
WAY-605311
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.0917   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -1.6417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583    0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.4500    0.0000 N   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
   -0.3833    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9208    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -0.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7625    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    2.4708    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
    4.7875   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -1.8042    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  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 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  1  0  0  0  0
 11 21  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 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20  6  2  0  0  0  0
 21 14  1  0  0  0  0
 22 10  2  0  0  0  0
 23  7  2  0  0  0  0
 24 11  2  0  0  0  0
 25  3  1  0  0  0  0
 26 15  1  0  0  0  0
 27 22  1  0  0  0  0
 28 12  2  0  0  0  0
 29 13  2  0  0  0  0
 30 28  1  0  0  0  0
  4  5  2  0  0  0  0
 29 28  1  0  0  0  0
  8 16  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,810)
2635

>  <Formula> (2,810)
C20H16ClFN2O5S

>  <MolWeight> (2,810)
450.8678432

>  <PCAT_CMPD_ID> (2,810)
WAY-605311

>  <CNC_ID> (2,810)
359403147

>  <transfer_container_id> (2,810)
PTN000000072

>  <COMPOUND_NUMBER> (2,810)
WAY-605311

>  <BAR_CODE_NO> (2,810)
90438914

>  <LOCATION_CODE> (2,810)
PTNCS

>  <AMOUNT_CURRENT> (2,810)
32.7

$$$$
WAY-605317
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.8458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3 16  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 11  2  0  0  0  0
  8  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  2  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 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16 18  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
 17 15  2  0  0  0  0
 14  8  2  0  0  0  0
 24 25  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,811)
2636

>  <Formula> (2,811)
C18H14N2O3S2

>  <MolWeight> (2,811)
370.44536

>  <PCAT_CMPD_ID> (2,811)
WAY-605317

>  <CNC_ID> (2,811)
359403153

>  <transfer_container_id> (2,811)
PTN000000072

>  <COMPOUND_NUMBER> (2,811)
WAY-605317

>  <BAR_CODE_NO> (2,811)
90438920

>  <LOCATION_CODE> (2,811)
PTNCS

>  <AMOUNT_CURRENT> (2,811)
32.7

$$$$
WAY-605325
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.7500   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708    1.0708    0.0000 C   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
    3.4625    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    1.0708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083    0.6583    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  2  0  0  0  0
  5  1  1  0  0  0  0
  6 15  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  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  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 17  6  2  0  0  0  0
 18 13  2  0  0  0  0
 19  5  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  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 10  1  0  0  0  0
 27 11  1  0  0  0  0
 23 22  1  0  0  0  0
  8  2  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,812)
2637

>  <Formula> (2,812)
C19H16ClNO6

>  <MolWeight> (2,812)
389.78644

>  <PCAT_CMPD_ID> (2,812)
WAY-605325

>  <CNC_ID> (2,812)
359403161

>  <transfer_container_id> (2,812)
PTN000000072

>  <COMPOUND_NUMBER> (2,812)
WAY-605325

>  <BAR_CODE_NO> (2,812)
90438928

>  <LOCATION_CODE> (2,812)
PTNCS

>  <AMOUNT_CURRENT> (2,812)
32.9

$$$$
WAY-605335
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.3167   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -1.3542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0292    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542    1.1208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2583    0.7083    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  8  1  0  0  0  0
  5 10  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  3  1  0  0  0  0
 10 18  1  0  0  0  0
 11 22  1  0  0  0  0
 12 21  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  5  1  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 10  2  0  0  0  0
 21 16  2  0  0  0  0
 22  7  1  0  0  0  0
 23 25  1  0  0  0  0
 24  3  1  0  0  0  0
 25  6  2  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
 23  9  2  0  0  0  0
 12  4  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,813)
2638

>  <Formula> (2,813)
C19H15Cl2NO6

>  <MolWeight> (2,813)
424.2315

>  <PCAT_CMPD_ID> (2,813)
WAY-605335

>  <CNC_ID> (2,813)
359403171

>  <transfer_container_id> (2,813)
PTN000000072

>  <COMPOUND_NUMBER> (2,813)
WAY-605335

>  <BAR_CODE_NO> (2,813)
90438938

>  <LOCATION_CODE> (2,813)
PTNCS

>  <AMOUNT_CURRENT> (2,813)
32.3

$$$$
WAY-605411-A
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.8625    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2250   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    3.0833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9250    1.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -1.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7917   -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  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 19  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  2  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 25  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 16  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  5  3  2  0  0  0  0
 15  9  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,814)
2639

>  <Formula> (2,814)
C18H16ClN3O4

>  <MolWeight> (2,814)
373.79034

>  <PCAT_CMPD_ID> (2,814)
WAY-605411-A

>  <CNC_ID> (2,814)
359403247

>  <transfer_container_id> (2,814)
PTN000000072

>  <COMPOUND_NUMBER> (2,814)
WAY-605411-A

>  <BAR_CODE_NO> (2,814)
90439014

>  <LOCATION_CODE> (2,814)
PTNCS

>  <AMOUNT_CURRENT> (2,814)
32.1

$$$$
WAY-605630
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.2917    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -4.0667    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  2  2  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 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  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 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 16  2  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 24  2  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 29  2  0  0  0  0
 32 27  1  0  0  0  0
 33 25  2  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
 32 30  2  0  0  0  0
 31 28  1  0  0  0  0
 33 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,815)
2640

>  <Formula> (2,815)
C27H26N6

>  <MolWeight> (2,815)
434.53554

>  <PCAT_CMPD_ID> (2,815)
WAY-605630

>  <CNC_ID> (2,815)
359403466

>  <transfer_container_id> (2,815)
PTN000000072

>  <COMPOUND_NUMBER> (2,815)
WAY-605630

>  <BAR_CODE_NO> (2,815)
90439237

>  <LOCATION_CODE> (2,815)
PTNCS

>  <AMOUNT_CURRENT> (2,815)
32

$$$$
WAY-605647
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.3667    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -2.1625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3292   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    4.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -2.6042    0.0000 C   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
   -1.1333    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -2.9417    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3292    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -3.0417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    2.9250    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  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10 16  3  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  2  1  0  0  0  0
 15  8  1  0  0  0  0
 16 26  1  0  0  0  0
 17  8  2  0  0  0  0
 18  5  2  0  0  0  0
 19 20  1  0  0  0  0
 20 14  2  0  0  0  0
 21 23  1  0  0  0  0
 22  4  1  0  0  0  0
 23 12  2  0  0  0  0
 24  6  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
  3  6  1  0  0  0  0
 19 13  2  0  0  0  0
 21 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,816)
2641

>  <Formula> (2,816)
C19H14ClN3O3

>  <MolWeight> (2,816)
367.78576

>  <PCAT_CMPD_ID> (2,816)
WAY-605647

>  <CNC_ID> (2,816)
359403483

>  <transfer_container_id> (2,816)
PTN000000072

>  <COMPOUND_NUMBER> (2,816)
WAY-605647

>  <BAR_CODE_NO> (2,816)
90439254

>  <LOCATION_CODE> (2,816)
PTNCS

>  <AMOUNT_CURRENT> (2,816)
33

$$$$
WAY-605673
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.1333   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    0.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750   -0.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    1.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8250    1.9125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6333   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625   -0.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    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  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 13  1  0  0  0  0
  7  4  2  0  0  0  0
  8 16  1  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  3  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 12  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 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
  5  7  1  0  0  0  0
 19 17  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,817)
2642

>  <Formula> (2,817)
C15H17ClN2O3S

>  <MolWeight> (2,817)
340.82508

>  <PCAT_CMPD_ID> (2,817)
WAY-605673

>  <CNC_ID> (2,817)
359403509

>  <transfer_container_id> (2,817)
PTN000000072

>  <COMPOUND_NUMBER> (2,817)
WAY-605673

>  <BAR_CODE_NO> (2,817)
90439280

>  <LOCATION_CODE> (2,817)
PTNCS

>  <AMOUNT_CURRENT> (2,817)
32.4

$$$$
WAY-605782
csChFnd80/11182011152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.6292    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -1.7292    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
   -1.0250   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -1.9000    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
   -0.5833    2.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.5000    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  8  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8 15  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 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  2  0  0  0  0
 16  3  1  0  0  0  0
 17 23  1  0  0  0  0
 18 10  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
 22  7  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  1  0  0  0  0
 25 18  1  0  0  0  0
 26 18  2  0  0  0  0
 27 19  2  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
  7  2  1  0  0  0  0
 28 22  2  0  0  0  0
 13  4  1  0  0  0  0
 17 24  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,818)
2643

>  <Formula> (2,818)
C25H24N4O2

>  <MolWeight> (2,818)
412.48366

>  <PCAT_CMPD_ID> (2,818)
WAY-605782

>  <CNC_ID> (2,818)
359403618

>  <transfer_container_id> (2,818)
PTN000000072

>  <COMPOUND_NUMBER> (2,818)
WAY-605782

>  <BAR_CODE_NO> (2,818)
90439390

>  <LOCATION_CODE> (2,818)
PTNCS

>  <AMOUNT_CURRENT> (2,818)
32.9

$$$$
WAY-636747
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0458    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    3.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.9000    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
    0.9792   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -4.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -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  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  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  8  1  0  0  0  0
 16  2  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  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
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  6  3  1  0  0  0  0
 22 18  2  0  0  0  0
  7  9  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,819)
2644

>  <Formula> (2,819)
C22H22N2O

>  <MolWeight> (2,819)
330.42288

>  <PCAT_CMPD_ID> (2,819)
WAY-636747

>  <CNC_ID> (2,819)
359403726

>  <transfer_container_id> (2,819)
PTN000000072

>  <COMPOUND_NUMBER> (2,819)
WAY-636747

>  <BAR_CODE_NO> (2,819)
90471234

>  <LOCATION_CODE> (2,819)
PTNCS

>  <AMOUNT_CURRENT> (2,819)
32.4

$$$$
WAY-636779
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.0375    1.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    2.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -3.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.8625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9625   -1.8625    0.0000 F   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
    0.3167    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    4.3250    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 10  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  9  1  0  0  0  0
  9 17  1  0  0  0  0
 10  5  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  2  1  0  0  0  0
 15 23  1  0  0  0  0
 16 11  1  0  0  0  0
 17 19  2  0  0  0  0
 18  3  2  0  0  0  0
 19  5  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 26  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 14  2  0  0  0  0
 27 22  1  0  0  0  0
 28  6  1  0  0  0  0
 29  6  1  0  0  0  0
 30 15  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
  9  4  2  0  0  0  0
 15 24  1  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,820)
2645

>  <Formula> (2,820)
C23H28F2N4O3S

>  <MolWeight> (2,820)
478.5552264

>  <PCAT_CMPD_ID> (2,820)
WAY-636779

>  <CNC_ID> (2,820)
359403758

>  <transfer_container_id> (2,820)
PTN000000072

>  <COMPOUND_NUMBER> (2,820)
WAY-636779

>  <BAR_CODE_NO> (2,820)
90471266

>  <LOCATION_CODE> (2,820)
PTNCS

>  <AMOUNT_CURRENT> (2,820)
32.2

$$$$
WAY-636943
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.4875   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -2.3292    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
   -2.7958    2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -1.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -3.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    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 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  2  0  0  0  0
 11 16  2  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  0  0  0  0
 14  2  1  0  0  0  0
 15 19  2  0  0  0  0
 16 23  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 14  1  0  0  0  0
 21  7  1  0  0  0  0
 22 12  1  0  0  0  0
 23 20  1  0  0  0  0
 10  9  1  0  0  0  0
  4  3  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,821)
2646

>  <Formula> (2,821)
C17H15F2NO3

>  <MolWeight> (2,821)
319.3027064

>  <PCAT_CMPD_ID> (2,821)
WAY-636943

>  <CNC_ID> (2,821)
359403922

>  <transfer_container_id> (2,821)
PTN000000072

>  <COMPOUND_NUMBER> (2,821)
WAY-636943

>  <BAR_CODE_NO> (2,821)
90471431

>  <LOCATION_CODE> (2,821)
PTNCS

>  <AMOUNT_CURRENT> (2,821)
32.5

$$$$
WAY-637713
csChFnd80/11182011152D

 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 F   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> (2,822)
2647

>  <Formula> (2,822)
C25H24FN3O

>  <MolWeight> (2,822)
401.4759632

>  <PCAT_CMPD_ID> (2,822)
WAY-637713

>  <CNC_ID> (2,822)
359404692

>  <transfer_container_id> (2,822)
PTN000000072

>  <COMPOUND_NUMBER> (2,822)
WAY-637713

>  <BAR_CODE_NO> (2,822)
90472211

>  <LOCATION_CODE> (2,822)
PTNCS

>  <AMOUNT_CURRENT> (2,822)
32.6

$$$$
WAY-637313
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.6583   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.2917    0.0000 C   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
   -2.1750   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208    0.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    1.4333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000    0.3833    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  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 16  1  0  0  0  0
 10  9  2  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 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 12  2  0  0  0  0
 23  4  1  0  0  0  0
 24 17  1  0  0  0  0
 25  8  1  0  0  0  0
 26 11  1  0  0  0  0
 27 17  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
  2  6  1  0  0  0  0
 18 21  2  0  0  0  0
  3  7  2  0  0  0  0
 29 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,823)
2648

>  <Formula> (2,823)
C21H19FN4OS2

>  <MolWeight> (2,823)
426.5301632

>  <PCAT_CMPD_ID> (2,823)
WAY-637313

>  <CNC_ID> (2,823)
359404291

>  <transfer_container_id> (2,823)
PTN000000072

>  <COMPOUND_NUMBER> (2,823)
WAY-637313

>  <BAR_CODE_NO> (2,823)
90471808

>  <LOCATION_CODE> (2,823)
PTNCS

>  <AMOUNT_CURRENT> (2,823)
32.5

$$$$
WAY-637387
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.8000   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875    0.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0875   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292    1.0833    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  2  2  0  0  0  0
  5  8  2  0  0  0  0
  6  3  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
 10  9  1  0  0  0  0
 11  6  2  0  0  0  0
 12 17  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  3  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 10  1  0  0  0  0
 20  1  1  0  0  0  0
 21  6  1  0  0  0  0
 22 11  1  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 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  2  0  0  0  0
 29 28  1  0  0  0  0
 11  4  1  0  0  0  0
 22 27  2  0  0  0  0
  7  5  1  0  0  0  0
 29 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,824)
2649

>  <Formula> (2,824)
C20H19N7OS

>  <MolWeight> (2,824)
405.47616

>  <PCAT_CMPD_ID> (2,824)
WAY-637387

>  <CNC_ID> (2,824)
359404365

>  <transfer_container_id> (2,824)
PTN000000072

>  <COMPOUND_NUMBER> (2,824)
WAY-637387

>  <BAR_CODE_NO> (2,824)
90471882

>  <LOCATION_CODE> (2,824)
PTNCS

>  <AMOUNT_CURRENT> (2,824)
32.4

$$$$
WAY-637837
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.4167   -0.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -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  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  9  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  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14 11  1  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 12  2  0  0  0  0
 19  1  1  0  0  0  0
 20 19  1  0  0  0  0
  9 10  2  0  0  0  0
  4  3  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,825)
2650

>  <Formula> (2,825)
C14H15N3O3

>  <MolWeight> (2,825)
273.2872

>  <PCAT_CMPD_ID> (2,825)
WAY-637837

>  <CNC_ID> (2,825)
359404816

>  <transfer_container_id> (2,825)
PTN000000072

>  <COMPOUND_NUMBER> (2,825)
WAY-637837

>  <BAR_CODE_NO> (2,825)
90472335

>  <LOCATION_CODE> (2,825)
PTNCS

>  <AMOUNT_CURRENT> (2,825)
32.9

$$$$
WAY-637914
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.4000   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.2833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4000   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    0.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    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  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 10  1  0  0  0  0
  9 11  2  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  4  1  0  0  0  0
 14  7  2  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 13  1  0  0  0  0
 19 13  2  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  2  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  8 12  2  0  0  0  0
 24 21  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,826)
2651

>  <Formula> (2,826)
C22H22N2O

>  <MolWeight> (2,826)
330.42288

>  <PCAT_CMPD_ID> (2,826)
WAY-637914

>  <CNC_ID> (2,826)
359404893

>  <transfer_container_id> (2,826)
PTN000000072

>  <COMPOUND_NUMBER> (2,826)
WAY-637914

>  <BAR_CODE_NO> (2,826)
90472413

>  <LOCATION_CODE> (2,826)
PTNCS

>  <AMOUNT_CURRENT> (2,826)
32.3

$$$$
WAY-638146
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.5292   -0.2625    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
   -0.5333   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -1.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3125    0.8208    0.0000 N   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
    0.5667   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.4083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -2.1750    0.0000 C   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
   -0.6375    0.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2375    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.8542    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 11  2  0  0  0  0
  7  3  2  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  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  2  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  7  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 11  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 25 23  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
  4  6  1  0  0  0  0
  9  7  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,827)
2652

>  <Formula> (2,827)
C20H23ClN4O3

>  <MolWeight> (2,827)
402.87462

>  <PCAT_CMPD_ID> (2,827)
WAY-638146

>  <CNC_ID> (2,827)
359405124

>  <transfer_container_id> (2,827)
PTN000000072

>  <COMPOUND_NUMBER> (2,827)
WAY-638146

>  <BAR_CODE_NO> (2,827)
90472649

>  <LOCATION_CODE> (2,827)
PTNCS

>  <AMOUNT_CURRENT> (2,827)
32.9

$$$$
WAY-638215
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0708   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.3375    0.0000 C   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
   -1.8583   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.0292    0.0000 O   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
    0.2417   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    2.1083    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  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  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  6  1  0  0  0  0
 13 10  1  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  1  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
 16 12  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,828)
2653

>  <Formula> (2,828)
C15H18N2O2

>  <MolWeight> (2,828)
258.31562

>  <PCAT_CMPD_ID> (2,828)
WAY-638215

>  <CNC_ID> (2,828)
359405193

>  <transfer_container_id> (2,828)
PTN000000072

>  <COMPOUND_NUMBER> (2,828)
WAY-638215

>  <BAR_CODE_NO> (2,828)
90472718

>  <LOCATION_CODE> (2,828)
PTNCS

>  <AMOUNT_CURRENT> (2,828)
32.6

$$$$
WAY-638254
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.3542   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    3.6833    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  5  1  0  0  0  0
  7  4  2  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  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  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 23  2  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 11  1  0  0  0  0
 26 15  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
 24 15  2  0  0  0  0
 22 11  2  0  0  0  0
 28 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,829)
2654

>  <Formula> (2,829)
C23H24N2O3

>  <MolWeight> (2,829)
376.44826

>  <PCAT_CMPD_ID> (2,829)
WAY-638254

>  <CNC_ID> (2,829)
359405232

>  <transfer_container_id> (2,829)
PTN000000072

>  <COMPOUND_NUMBER> (2,829)
WAY-638254

>  <BAR_CODE_NO> (2,829)
90472757

>  <LOCATION_CODE> (2,829)
PTNCS

>  <AMOUNT_CURRENT> (2,829)
32.1

$$$$
WAY-638268
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.4667   -0.6542    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
   -0.3708   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -2.3542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -3.0542    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9000   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -2.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417    1.4583    0.0000 C   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
   -2.3708    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    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  1  0  0  0  0
  4  8  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  5  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  3  2  0  0  0  0
 14  4  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20  7  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
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
 26 23  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,830)
2655

>  <Formula> (2,830)
C20H21N3O3

>  <MolWeight> (2,830)
351.39904

>  <PCAT_CMPD_ID> (2,830)
WAY-638268

>  <CNC_ID> (2,830)
359405246

>  <transfer_container_id> (2,830)
PTN000000072

>  <COMPOUND_NUMBER> (2,830)
WAY-638268

>  <BAR_CODE_NO> (2,830)
90472771

>  <LOCATION_CODE> (2,830)
PTNCS

>  <AMOUNT_CURRENT> (2,830)
32.8

$$$$
WAY-638465
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.7958   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    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  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  8  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  7  2  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
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 15  2  0  0  0  0
 23 15  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 20  2  0  0  0  0
 28 21  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
  3  4  2  0  0  0  0
 25 18  2  0  0  0  0
 31 27  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,831)
2656

>  <Formula> (2,831)
C25H24N4O2

>  <MolWeight> (2,831)
412.48366

>  <PCAT_CMPD_ID> (2,831)
WAY-638465

>  <CNC_ID> (2,831)
359405443

>  <transfer_container_id> (2,831)
PTN000000072

>  <COMPOUND_NUMBER> (2,831)
WAY-638465

>  <BAR_CODE_NO> (2,831)
90472968

>  <LOCATION_CODE> (2,831)
PTNCS

>  <AMOUNT_CURRENT> (2,831)
32.4

$$$$
WAY-638496
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.9125    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    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  2  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  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  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  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  3  1  0  0  0  0
 18 13  1  0  0  0  0
 19  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  5  4  2  0  0  0  0
  7 12  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,832)
2657

>  <Formula> (2,832)
C18H15NO4S

>  <MolWeight> (2,832)
341.381

>  <PCAT_CMPD_ID> (2,832)
WAY-638496

>  <CNC_ID> (2,832)
359405474

>  <transfer_container_id> (2,832)
PTN000000072

>  <COMPOUND_NUMBER> (2,832)
WAY-638496

>  <BAR_CODE_NO> (2,832)
90472999

>  <LOCATION_CODE> (2,832)
PTNCS

>  <AMOUNT_CURRENT> (2,832)
32.9

$$$$
WAY-656013
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.2958   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -0.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    3.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    2.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -3.3292    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  4  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  3  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  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 14  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 17  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  2  0  0  0  0
 24 18  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,833)
2658

>  <Formula> (2,833)
C16H20N4O2S2

>  <MolWeight> (2,833)
364.4856

>  <PCAT_CMPD_ID> (2,833)
WAY-656013

>  <CNC_ID> (2,833)
359405728

>  <transfer_container_id> (2,833)
PTN000000072

>  <COMPOUND_NUMBER> (2,833)
WAY-656013

>  <BAR_CODE_NO> (2,833)
90490707

>  <LOCATION_CODE> (2,833)
PTNCS

>  <AMOUNT_CURRENT> (2,833)
32.6

$$$$
WAY-656357
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.1583    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    1.6458    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
   -0.3458   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    2.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.8583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -2.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -3.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -3.3375    0.0000 C   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
    0.4292    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    4.1667    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  8  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 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  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  9  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 10  1  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 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
  6  7  1  0  0  0  0
 25 24  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,834)
2659

>  <Formula> (2,834)
C17H15N3O3S2

>  <MolWeight> (2,834)
373.4493

>  <PCAT_CMPD_ID> (2,834)
WAY-656357

>  <CNC_ID> (2,834)
359406072

>  <transfer_container_id> (2,834)
PTN000000072

>  <COMPOUND_NUMBER> (2,834)
WAY-656357

>  <BAR_CODE_NO> (2,834)
90491052

>  <LOCATION_CODE> (2,834)
PTNCS

>  <AMOUNT_CURRENT> (2,834)
32.5

$$$$
WAY-656751
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.0905    1.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698    1.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008    2.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9663    1.3161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    0.6886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3836    2.4541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4560    2.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7594    1.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456    0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4353   -0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0732    1.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5682   -0.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647    1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544    0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888   -0.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061   -1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061   -1.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268   -1.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2164   -2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9302   -2.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2302   -3.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5475   -4.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  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  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
 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  2  0  0  0  0
 13 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,835)
2660

>  <Formula> (2,835)
C18H15NO3

>  <MolWeight> (2,835)
293.3166

>  <PCAT_CMPD_ID> (2,835)
WAY-656751

>  <CNC_ID> (2,835)
359406465

>  <transfer_container_id> (2,835)
PTN000000072

>  <COMPOUND_NUMBER> (2,835)
WAY-656751

>  <BAR_CODE_NO> (2,835)
90491457

>  <LOCATION_CODE> (2,835)
PTNCS

>  <AMOUNT_CURRENT> (2,835)
32.5

$$$$
WAY-656883
csChFnd80/11182011152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.1208   -0.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    0.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6000    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    3.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -4.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    3.9208    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  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 14  2  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13  5  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 10  2  0  0  0  0
 18 15  1  0  0  0  0
 19  8  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 18  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  0  0  0  0
 17 15  1  0  0  0  0
 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,836)
2661

>  <Formula> (2,836)
C19H23N3O3

>  <MolWeight> (2,836)
341.40422

>  <PCAT_CMPD_ID> (2,836)
WAY-656883

>  <CNC_ID> (2,836)
359406597

>  <transfer_container_id> (2,836)
PTN000000072

>  <COMPOUND_NUMBER> (2,836)
WAY-656883

>  <BAR_CODE_NO> (2,836)
90491590

>  <LOCATION_CODE> (2,836)
PTNCS

>  <AMOUNT_CURRENT> (2,836)
33

$$$$
WAY-656905
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.7833   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.1542    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
    0.4542   -0.4417    0.0000 N   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
    1.2792    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958   -1.9792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542    0.9875    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
    2.5167    3.1333    0.0000 C   0  0  0  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 15  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  6  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  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19  2  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  9  1  0  0  0  0
 24 17  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  7  2  0  0  0  0
 14  8  1  0  0  0  0
 18 20  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,837)
2662

>  <Formula> (2,837)
C21H21BrN2O3

>  <MolWeight> (2,837)
429.30704

>  <PCAT_CMPD_ID> (2,837)
WAY-656905

>  <CNC_ID> (2,837)
359406619

>  <transfer_container_id> (2,837)
PTN000000072

>  <COMPOUND_NUMBER> (2,837)
WAY-656905

>  <BAR_CODE_NO> (2,837)
90491612

>  <LOCATION_CODE> (2,837)
PTNCS

>  <AMOUNT_CURRENT> (2,837)
32.8

$$$$
WAY-657094
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.1458    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250    2.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6417    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.1667    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
   -0.8625   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -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  1  2  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  4  2  0  0  0  0
  9  7  2  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  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 12 11  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,838)
2663

>  <Formula> (2,838)
C12H14N2O2S

>  <MolWeight> (2,838)
250.31676

>  <PCAT_CMPD_ID> (2,838)
WAY-657094

>  <CNC_ID> (2,838)
359406808

>  <transfer_container_id> (2,838)
PTN000000072

>  <COMPOUND_NUMBER> (2,838)
WAY-657094

>  <BAR_CODE_NO> (2,838)
90491811

>  <LOCATION_CODE> (2,838)
PTNCS

>  <AMOUNT_CURRENT> (2,838)
33

$$$$
WAY-657102
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6583   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.4708    0.0000 O   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
    1.8167    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    2.6083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3583   -0.5500    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  4  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  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  2  0  0  0  0
  7  6  2  0  0  0  0
 19 20  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,839)
2664

>  <Formula> (2,839)
C15H12ClN3O

>  <MolWeight> (2,839)
285.72828

>  <PCAT_CMPD_ID> (2,839)
WAY-657102

>  <CNC_ID> (2,839)
359406816

>  <transfer_container_id> (2,839)
PTN000000072

>  <COMPOUND_NUMBER> (2,839)
WAY-657102

>  <BAR_CODE_NO> (2,839)
90491819

>  <LOCATION_CODE> (2,839)
PTNCS

>  <AMOUNT_CURRENT> (2,839)
32.2

$$$$
WAY-657181
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.5833    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.3083    0.0000 C   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
   -0.5833    1.0708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.5792    0.0000 N   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
    1.5625   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.6583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5833    3.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    3.1333    0.0000 C   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
   -1.2958    3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -4.2917    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
   -2.0083    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    3.1333    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  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9  4  1  0  0  0  0
 10 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15  7  1  0  0  0  0
 16  3  2  0  0  0  0
 17 11  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 20  2  1  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 14  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
 10 14  2  0  0  0  0
 26 24  2  0  0  0  0
 11  7  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,840)
2665

>  <Formula> (2,840)
C19H17N3O3S

>  <MolWeight> (2,840)
367.42158

>  <PCAT_CMPD_ID> (2,840)
WAY-657181

>  <CNC_ID> (2,840)
359406895

>  <transfer_container_id> (2,840)
PTN000000072

>  <COMPOUND_NUMBER> (2,840)
WAY-657181

>  <BAR_CODE_NO> (2,840)
90491902

>  <LOCATION_CODE> (2,840)
PTNCS

>  <AMOUNT_CURRENT> (2,840)
32.4

$$$$
WAY-657436
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1208   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125    0.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    3.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -4.4917    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  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  6  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  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16 10  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19  8  2  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 11  2  0  0  0  0
 24 26  2  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
  5  3  1  0  0  0  0
 18 21  2  0  0  0  0
 25 24  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,841)
2666

>  <Formula> (2,841)
C19H14ClN3O2S2

>  <MolWeight> (2,841)
415.91636

>  <PCAT_CMPD_ID> (2,841)
WAY-657436

>  <CNC_ID> (2,841)
359407149

>  <transfer_container_id> (2,841)
PTN000000072

>  <COMPOUND_NUMBER> (2,841)
WAY-657436

>  <BAR_CODE_NO> (2,841)
90492162

>  <LOCATION_CODE> (2,841)
PTNCS

>  <AMOUNT_CURRENT> (2,841)
32.7

$$$$
WAY-657575
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.7667   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -0.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -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  5  3  0  0  0  0
  4  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  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  9  1  0  0  0  0
 12  1  2  0  0  0  0
 13  2  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 14  1  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 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
 25 24  1  0  0  0  0
  7  4  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,842)
2667

>  <Formula> (2,842)
C19H18N2O3S

>  <MolWeight> (2,842)
354.42282

>  <PCAT_CMPD_ID> (2,842)
WAY-657575

>  <CNC_ID> (2,842)
359407288

>  <transfer_container_id> (2,842)
PTN000000072

>  <COMPOUND_NUMBER> (2,842)
WAY-657575

>  <BAR_CODE_NO> (2,842)
90492303

>  <LOCATION_CODE> (2,842)
PTNCS

>  <AMOUNT_CURRENT> (2,842)
32

$$$$
WAY-657741
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.7625   -1.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -2.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    2.8208    0.0000 O   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
   -0.6708    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -2.7625    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  1  0  0  0  0
  7  2  1  0  0  0  0
  8 18  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13 20  1  0  0  0  0
 14  8  1  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 21  2  0  0  0  0
 19  9  2  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
  5  2  1  0  0  0  0
 13  8  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,843)
2668

>  <Formula> (2,843)
C17H19N3O6

>  <MolWeight> (2,843)
361.34926

>  <PCAT_CMPD_ID> (2,843)
WAY-657741

>  <CNC_ID> (2,843)
359407454

>  <transfer_container_id> (2,843)
PTN000000072

>  <COMPOUND_NUMBER> (2,843)
WAY-657741

>  <BAR_CODE_NO> (2,843)
90492469

>  <LOCATION_CODE> (2,843)
PTNCS

>  <AMOUNT_CURRENT> (2,843)
32.4

$$$$
WAY-657864
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.4625   -2.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.5583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833   -5.7167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    4.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    5.6375    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  6  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 17  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  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
 14  7  1  0  0  0  0
 15  3  2  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  9  2  0  0  0  0
 20  9  1  0  0  0  0
 21 10  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 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  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
 22 24  2  0  0  0  0
  8 18  1  0  0  0  0
  2  4  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,844)
2669

>  <Formula> (2,844)
C22H24ClN3O4S

>  <MolWeight> (2,844)
461.96166

>  <PCAT_CMPD_ID> (2,844)
WAY-657864

>  <CNC_ID> (2,844)
359407577

>  <transfer_container_id> (2,844)
PTN000000072

>  <COMPOUND_NUMBER> (2,844)
WAY-657864

>  <BAR_CODE_NO> (2,844)
90492592

>  <LOCATION_CODE> (2,844)
PTNCS

>  <AMOUNT_CURRENT> (2,844)
32.5

$$$$
WAY-323251
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.1667    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4667    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3500    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1583    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    3.0625    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 12  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  1  1  0  0  0  0
 10  5  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  4  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  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  2  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
  4  6  2  0  0  0  0
 19 20  1  0  0  0  0
 11  7  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,845)
2670

>  <Formula> (2,845)
C19H20N4

>  <MolWeight> (2,845)
304.3889

>  <PCAT_CMPD_ID> (2,845)
WAY-323251

>  <CNC_ID> (2,845)
359410005

>  <transfer_container_id> (2,845)
PTN000000073

>  <COMPOUND_NUMBER> (2,845)
WAY-323251

>  <BAR_CODE_NO> (2,845)
298252

>  <LOCATION_CODE> (2,845)
PTNCS

>  <AMOUNT_CURRENT> (2,845)
32.5

$$$$
WAY-323283
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.7917   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -2.3917    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  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15 12  2  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
  7  8  1  0  0  0  0
  5  4  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,846)
2671

>  <Formula> (2,846)
C11H10N4O2

>  <MolWeight> (2,846)
230.2227

>  <PCAT_CMPD_ID> (2,846)
WAY-323283

>  <CNC_ID> (2,846)
359410037

>  <transfer_container_id> (2,846)
PTN000000073

>  <COMPOUND_NUMBER> (2,846)
WAY-323283

>  <BAR_CODE_NO> (2,846)
298284

>  <LOCATION_CODE> (2,846)
PTNCS

>  <AMOUNT_CURRENT> (2,846)
32.5

$$$$
WAY-323287
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.0125    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750    2.8958    0.0000 N   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
   -2.3625    1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    3.3458    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
   -0.8458   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -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  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  9  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  2  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  6  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
  8  7  1  0  0  0  0
  5  4  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,847)
2672

>  <Formula> (2,847)
C12H12N4O2

>  <MolWeight> (2,847)
244.24928

>  <PCAT_CMPD_ID> (2,847)
WAY-323287

>  <CNC_ID> (2,847)
359410041

>  <transfer_container_id> (2,847)
PTN000000073

>  <COMPOUND_NUMBER> (2,847)
WAY-323287

>  <BAR_CODE_NO> (2,847)
298288

>  <LOCATION_CODE> (2,847)
PTNCS

>  <AMOUNT_CURRENT> (2,847)
32.5

$$$$
WAY-323308
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.4125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    4.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    7.1500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8667    6.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667    4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917    8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667    5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417    3.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2542    9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   12.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750   12.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    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 21  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
  4  5  2  0  0  0  0
  8 12  1  0  0  0  0
 26 24  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,848)
2673

>  <Formula> (2,848)
C19H23N3O3S

>  <MolWeight> (2,848)
373.46922

>  <PCAT_CMPD_ID> (2,848)
WAY-323308

>  <CNC_ID> (2,848)
359410062

>  <transfer_container_id> (2,848)
PTN000000073

>  <COMPOUND_NUMBER> (2,848)
WAY-323308

>  <BAR_CODE_NO> (2,848)
298309

>  <LOCATION_CODE> (2,848)
PTNCS

>  <AMOUNT_CURRENT> (2,848)
32.5

$$$$
WAY-323333
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.1875   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.4625    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
    4.6250   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.3375    0.0000 S   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
   -0.3250   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.7500    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 10  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 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  2  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16  3  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,849)
2674

>  <Formula> (2,849)
C11H12N4O2S

>  <MolWeight> (2,849)
264.30358

>  <PCAT_CMPD_ID> (2,849)
WAY-323333

>  <CNC_ID> (2,849)
359410087

>  <transfer_container_id> (2,849)
PTN000000073

>  <COMPOUND_NUMBER> (2,849)
WAY-323333

>  <BAR_CODE_NO> (2,849)
298334

>  <LOCATION_CODE> (2,849)
PTNCS

>  <AMOUNT_CURRENT> (2,849)
32.5

$$$$
WAY-323388
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.0042   -1.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -1.5667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2667   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -2.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -3.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -3.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5292   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -4.3042    0.0000 O   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
    7.0375   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125   -1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -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  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 15  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  2  0  0  0  0
 19  9  2  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  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 27  1  0  0  0  0
 29 28  1  0  0  0  0
  5  4  1  0  0  0  0
 24 26  1  0  0  0  0
  8 14  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,850)
2675

>  <Formula> (2,850)
C21H23N3O5

>  <MolWeight> (2,850)
397.42442

>  <PCAT_CMPD_ID> (2,850)
WAY-323388

>  <CNC_ID> (2,850)
359410140

>  <transfer_container_id> (2,850)
PTN000000073

>  <COMPOUND_NUMBER> (2,850)
WAY-323388

>  <BAR_CODE_NO> (2,850)
298389

>  <LOCATION_CODE> (2,850)
PTNCS

>  <AMOUNT_CURRENT> (2,850)
32.5

$$$$
WAY-323389
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.0375   -1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -2.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3042   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -2.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -3.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4792   -4.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -2.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.2917    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
  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 15  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  2  0  0  0  0
 19  9  2  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  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 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
  5  4  1  0  0  0  0
 24 26  1  0  0  0  0
  8 14  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,851)
2676

>  <Formula> (2,851)
C22H25N3O5

>  <MolWeight> (2,851)
411.451

>  <PCAT_CMPD_ID> (2,851)
WAY-323389

>  <CNC_ID> (2,851)
359410141

>  <transfer_container_id> (2,851)
PTN000000073

>  <COMPOUND_NUMBER> (2,851)
WAY-323389

>  <BAR_CODE_NO> (2,851)
298390

>  <LOCATION_CODE> (2,851)
PTNCS

>  <AMOUNT_CURRENT> (2,851)
32.5

$$$$
WAY-323395
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.5625    2.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    0.8083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    0.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5958    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1875    3.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.0292    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
   -2.3083    1.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.8708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.2333    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  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  3  2  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  1  0  0  0  0
 15 22  2  0  0  0  0
 16 24  2  0  0  0  0
 17 15  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 14  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 16  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
  7  4  1  0  0  0  0
 15 23  1  0  0  0  0
 25 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,852)
2677

>  <Formula> (2,852)
C21H22FN3O3S

>  <MolWeight> (2,852)
415.4810832

>  <PCAT_CMPD_ID> (2,852)
WAY-323395

>  <CNC_ID> (2,852)
359410146

>  <transfer_container_id> (2,852)
PTN000000073

>  <COMPOUND_NUMBER> (2,852)
WAY-323395

>  <BAR_CODE_NO> (2,852)
298396

>  <LOCATION_CODE> (2,852)
PTNCS

>  <AMOUNT_CURRENT> (2,852)
32.5

$$$$
WAY-323397
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.3000    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.1917    0.0000 S   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
    3.0042   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1542   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750    1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -4.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -0.7792    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  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  3  2  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  1  0  0  0  0
 15 18  2  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 15  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 20  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
 27 25  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,853)
2678

>  <Formula> (2,853)
C20H21N3O3S

>  <MolWeight> (2,853)
383.46404

>  <PCAT_CMPD_ID> (2,853)
WAY-323397

>  <CNC_ID> (2,853)
359410148

>  <transfer_container_id> (2,853)
PTN000000073

>  <COMPOUND_NUMBER> (2,853)
WAY-323397

>  <BAR_CODE_NO> (2,853)
298398

>  <LOCATION_CODE> (2,853)
PTNCS

>  <AMOUNT_CURRENT> (2,853)
32.5

$$$$
WAY-323401
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.9458    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208    0.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6208    0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.4333    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
   -0.5625   -0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3208    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    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  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  8  2  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 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  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 19  2  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  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
  6  9  1  0  0  0  0
  7  4  1  0  0  0  0
 25 22  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,854)
2679

>  <Formula> (2,854)
C23H21NO3

>  <MolWeight> (2,854)
359.41774

>  <PCAT_CMPD_ID> (2,854)
WAY-323401

>  <CNC_ID> (2,854)
359410152

>  <transfer_container_id> (2,854)
PTN000000073

>  <COMPOUND_NUMBER> (2,854)
WAY-323401

>  <BAR_CODE_NO> (2,854)
298402

>  <LOCATION_CODE> (2,854)
PTNCS

>  <AMOUNT_CURRENT> (2,854)
32.5

$$$$
WAY-323423
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.8292    0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.7917    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
    2.6042   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    2.7708    0.0000 C   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   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875    3.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -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  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 12  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  1  0  0  0  0
 14 10  1  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  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  2  0  0  0  0
 21 13  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  1  0  0  0  0
  7  6  2  0  0  0  0
 22 23  1  0  0  0  0
 13 11  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,855)
2680

>  <Formula> (2,855)
C18H13N3O3S

>  <MolWeight> (2,855)
351.37912

>  <PCAT_CMPD_ID> (2,855)
WAY-323423

>  <CNC_ID> (2,855)
359410172

>  <transfer_container_id> (2,855)
PTN000000073

>  <COMPOUND_NUMBER> (2,855)
WAY-323423

>  <BAR_CODE_NO> (2,855)
298424

>  <LOCATION_CODE> (2,855)
PTNCS

>  <AMOUNT_CURRENT> (2,855)
32.5

$$$$
WAY-323434-A
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.1500   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -3.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -7.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -5.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917  -11.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000  -10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167  -12.8750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375   -3.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6375    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    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 13  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  1  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  2  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16  1  2  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19  7  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 20  1  0  0  0  0
 24 17  1  0  0  0  0
 25  5  1  0  0  0  0
 26 17  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
 20 21  2  0  0  0  0
  6  9  1  0  0  0  0
  3 12  1  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,856)
2681

>  <Formula> (2,856)
C23H28FN3O2

>  <MolWeight> (2,856)
397.4857232

>  <PCAT_CMPD_ID> (2,856)
WAY-323434-A

>  <CNC_ID> (2,856)
359410182

>  <transfer_container_id> (2,856)
PTN000000073

>  <COMPOUND_NUMBER> (2,856)
WAY-323434-A

>  <BAR_CODE_NO> (2,856)
298435

>  <LOCATION_CODE> (2,856)
PTNCS

>  <AMOUNT_CURRENT> (2,856)
32.5

$$$$
WAY-323435-A
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.9125   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -6.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -6.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542  -10.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667  -13.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167  -12.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542  -12.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -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  4  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  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  2  0  0  0  0
 11 20  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  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  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 14 15  2  0  0  0  0
  4  6  1  0  0  0  0
 21 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,857)
2682

>  <Formula> (2,857)
C16H21FN2O2

>  <MolWeight> (2,857)
292.3485432

>  <PCAT_CMPD_ID> (2,857)
WAY-323435-A

>  <CNC_ID> (2,857)
359410183

>  <transfer_container_id> (2,857)
PTN000000073

>  <COMPOUND_NUMBER> (2,857)
WAY-323435-A

>  <BAR_CODE_NO> (2,857)
298436

>  <LOCATION_CODE> (2,857)
PTNCS

>  <AMOUNT_CURRENT> (2,857)
32.5

$$$$
WAY-323539
csChFnd80/11182011152D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.0792   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792   -1.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -0.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  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  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  7  2  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  9  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 11  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
  4  2  2  0  0  0  0
 18 11  1  0  0  0  0
 17 16  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,858)
2683

>  <Formula> (2,858)
C17H14N2O2S2

>  <MolWeight> (2,858)
342.43526

>  <PCAT_CMPD_ID> (2,858)
WAY-323539

>  <CNC_ID> (2,858)
359410287

>  <transfer_container_id> (2,858)
PTN000000073

>  <COMPOUND_NUMBER> (2,858)
WAY-323539

>  <BAR_CODE_NO> (2,858)
298540

>  <LOCATION_CODE> (2,858)
PTNCS

>  <AMOUNT_CURRENT> (2,858)
32.5

$$$$
WAY-323588
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.0167   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -3.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -3.1042    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
   11.4375   -3.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4500   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -4.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -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 10  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8 19  2  0  0  0  0
  9  4  1  0  0  0  0
 10 18  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  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  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 22  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  2  0  0  0  0
 22  9  2  0  0  0  0
 23 25  2  0  0  0  0
 24 20  2  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 16  1  0  0  0  0
 24 23  1  0  0  0  0
 17 10  1  0  0  0  0
  8  5  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,859)
2684

>  <Formula> (2,859)
C21H21FN2O4

>  <MolWeight> (2,859)
384.4008432

>  <PCAT_CMPD_ID> (2,859)
WAY-323588

>  <CNC_ID> (2,859)
359410336

>  <transfer_container_id> (2,859)
PTN000000073

>  <COMPOUND_NUMBER> (2,859)
WAY-323588

>  <BAR_CODE_NO> (2,859)
298589

>  <LOCATION_CODE> (2,859)
PTNCS

>  <AMOUNT_CURRENT> (2,859)
32.5

$$$$
WAY-323621
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.7542   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -1.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0375   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -3.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -1.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.6042    0.0000 C   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
    4.9042   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -3.5000    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  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  2  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  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 15  1  0  0  0  0
  7  3  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,860)
2685

>  <Formula> (2,860)
C14H16O4

>  <MolWeight> (2,860)
248.27444

>  <PCAT_CMPD_ID> (2,860)
WAY-323621

>  <CNC_ID> (2,860)
359410368

>  <transfer_container_id> (2,860)
PTN000000073

>  <COMPOUND_NUMBER> (2,860)
WAY-323621

>  <BAR_CODE_NO> (2,860)
298622

>  <LOCATION_CODE> (2,860)
PTNCS

>  <AMOUNT_CURRENT> (2,860)
32.5

$$$$
WAY-323702
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
    5.3542   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -2.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.8875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9292   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1792   -2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -2.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -1.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4375   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.9667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    1.0625    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  3  1  0  0  0  0
  5  1  2  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  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  2  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 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 20  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 23  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 11 12  1  0  0  0  0
 10  3  1  0  0  0  0
  4  2  1  0  0  0  0
 26 28  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,861)
2686

>  <Formula> (2,861)
C21H16N2O3S2

>  <MolWeight> (2,861)
408.49334

>  <PCAT_CMPD_ID> (2,861)
WAY-323702

>  <CNC_ID> (2,861)
359410447

>  <transfer_container_id> (2,861)
PTN000000073

>  <COMPOUND_NUMBER> (2,861)
WAY-323702

>  <BAR_CODE_NO> (2,861)
298703

>  <LOCATION_CODE> (2,861)
PTNCS

>  <AMOUNT_CURRENT> (2,861)
32.5

$$$$
WAY-323706-A
csChFnd80/11182011152D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.9875   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4667   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0167   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.8667    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  1  1  0  0  0  0
  6  7  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  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
  6  3  1  0  0  0  0
  8 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,862)
2687

>  <Formula> (2,862)
C14H21N

>  <MolWeight> (2,862)
203.32324

>  <PCAT_CMPD_ID> (2,862)
WAY-323706-A

>  <CNC_ID> (2,862)
359410451

>  <transfer_container_id> (2,862)
PTN000000073

>  <COMPOUND_NUMBER> (2,862)
WAY-323706-A

>  <BAR_CODE_NO> (2,862)
298707

>  <LOCATION_CODE> (2,862)
PTNCS

>  <AMOUNT_CURRENT> (2,862)
32.5

$$$$
WAY-323724
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.9042    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -1.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    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  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  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  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 10  1  0  0  0  0
 15 19  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  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
 21 10  1  0  0  0  0
  4  5  1  0  0  0  0
 12 14  2  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,863)
2688

>  <Formula> (2,863)
C15H19N3O2S

>  <MolWeight> (2,863)
305.39526

>  <PCAT_CMPD_ID> (2,863)
WAY-323724

>  <CNC_ID> (2,863)
359410469

>  <transfer_container_id> (2,863)
PTN000000073

>  <COMPOUND_NUMBER> (2,863)
WAY-323724

>  <BAR_CODE_NO> (2,863)
298725

>  <LOCATION_CODE> (2,863)
PTNCS

>  <AMOUNT_CURRENT> (2,863)
32.5

$$$$
WAY-323734
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.6917   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.9583    0.0000 C   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
    3.4292   -0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875   -1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.9750    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  3  1  0  0  0  0
  5  4  2  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  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  8  2  0  0  0  0
 14  1  1  0  0  0  0
 15  6  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
 19 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  2  0  0  0  0
 22 11  2  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 21  1  0  0  0  0
  9  6  1  0  0  0  0
 11 10  1  0  0  0  0
 17 18  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,864)
2689

>  <Formula> (2,864)
C19H17N3O3S

>  <MolWeight> (2,864)
367.42158

>  <PCAT_CMPD_ID> (2,864)
WAY-323734

>  <CNC_ID> (2,864)
359410479

>  <transfer_container_id> (2,864)
PTN000000073

>  <COMPOUND_NUMBER> (2,864)
WAY-323734

>  <BAR_CODE_NO> (2,864)
298735

>  <LOCATION_CODE> (2,864)
PTNCS

>  <AMOUNT_CURRENT> (2,864)
32.5

$$$$
WAY-323735
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.9042   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.3667    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
    2.1875   -1.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    2.1000    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  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  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  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 22  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24 16  1  0  0  0  0
 25 21  1  0  0  0  0
 26 10  2  0  0  0  0
 27 15  1  0  0  0  0
 28 15  2  0  0  0  0
 29 25  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  2  0  0  0  0
  3  4  1  0  0  0  0
 21 24  2  0  0  0  0
 11 18  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,865)
2690

>  <Formula> (2,865)
C26H23NO5

>  <MolWeight> (2,865)
429.46452

>  <PCAT_CMPD_ID> (2,865)
WAY-323735

>  <CNC_ID> (2,865)
359410480

>  <transfer_container_id> (2,865)
PTN000000073

>  <COMPOUND_NUMBER> (2,865)
WAY-323735

>  <BAR_CODE_NO> (2,865)
298736

>  <LOCATION_CODE> (2,865)
PTNCS

>  <AMOUNT_CURRENT> (2,865)
32.5

$$$$
WAY-323752
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.2042    0.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -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  4  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  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  7  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  7  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  2  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
 21 20  1  0  0  0  0
  5  3  2  0  0  0  0
 19 21  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,866)
2691

>  <Formula> (2,866)
C14H13N5O2

>  <MolWeight> (2,866)
283.28532

>  <PCAT_CMPD_ID> (2,866)
WAY-323752

>  <CNC_ID> (2,866)
359410496

>  <transfer_container_id> (2,866)
PTN000000073

>  <COMPOUND_NUMBER> (2,866)
WAY-323752

>  <BAR_CODE_NO> (2,866)
298753

>  <LOCATION_CODE> (2,866)
PTNCS

>  <AMOUNT_CURRENT> (2,866)
32.5

$$$$
WAY-323788
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.5625   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.2792    0.0000 C   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
   -1.8458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -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  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 10  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  4  2  0  0  0  0
 13 16  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 18  1  0  0  0  0
 18 11  1  0  0  0  0
 19  2  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 13  1  0  0  0  0
 24 20  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  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
  4  5  1  0  0  0  0
 13  8  2  0  0  0  0
 28 21  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,867)
2692

>  <Formula> (2,867)
C24H21N3O4

>  <MolWeight> (2,867)
415.44124

>  <PCAT_CMPD_ID> (2,867)
WAY-323788

>  <CNC_ID> (2,867)
359410530

>  <transfer_container_id> (2,867)
PTN000000073

>  <COMPOUND_NUMBER> (2,867)
WAY-323788

>  <BAR_CODE_NO> (2,867)
298789

>  <LOCATION_CODE> (2,867)
PTNCS

>  <AMOUNT_CURRENT> (2,867)
32.5

$$$$
WAY-323790
csChFnd80/11182011152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.5625   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.2792    0.0000 C   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
   -1.8458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -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  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 10  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  4  2  0  0  0  0
 13 16  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 18  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20  2  1  0  0  0  0
 21 27  1  0  0  0  0
 22  5  2  0  0  0  0
 23  6  2  0  0  0  0
 24 13  1  0  0  0  0
 25 19  2  0  0  0  0
 26 19  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 21  1  0  0  0  0
 30 24  1  0  0  0  0
 31 32  2  0  0  0  0
 32 23  1  0  0  0  0
  4  5  1  0  0  0  0
 13  8  2  0  0  0  0
 31 22  1  0  0  0  0
 21 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,868)
2693

>  <Formula> (2,868)
C25H23N3O4

>  <MolWeight> (2,868)
429.46782

>  <PCAT_CMPD_ID> (2,868)
WAY-323790

>  <CNC_ID> (2,868)
359410532

>  <transfer_container_id> (2,868)
PTN000000073

>  <COMPOUND_NUMBER> (2,868)
WAY-323790

>  <BAR_CODE_NO> (2,868)
298791

>  <LOCATION_CODE> (2,868)
PTNCS

>  <AMOUNT_CURRENT> (2,868)
32.5

$$$$
WAY-323791
csChFnd80/11182011152D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.5625   -0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -1.2792    0.0000 C   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
   -1.8458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4833    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    3.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -2.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208   -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  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 10  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  4  2  0  0  0  0
 13 16  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 18  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20  2  1  0  0  0  0
 21 27  1  0  0  0  0
 22  5  2  0  0  0  0
 23  6  2  0  0  0  0
 24 13  1  0  0  0  0
 25 19  2  0  0  0  0
 26 19  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 21  1  0  0  0  0
 30 24  1  0  0  0  0
 31 29  1  0  0  0  0
 32 33  2  0  0  0  0
 33 23  1  0  0  0  0
  5  4  1  0  0  0  0
  8 13  2  0  0  0  0
 22 32  1  0  0  0  0
 28 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,869)
2694

>  <Formula> (2,869)
C25H23N3O5

>  <MolWeight> (2,869)
445.46722

>  <PCAT_CMPD_ID> (2,869)
WAY-323791

>  <CNC_ID> (2,869)
359410533

>  <transfer_container_id> (2,869)
PTN000000073

>  <COMPOUND_NUMBER> (2,869)
WAY-323791

>  <BAR_CODE_NO> (2,869)
298792

>  <LOCATION_CODE> (2,869)
PTNCS

>  <AMOUNT_CURRENT> (2,869)
32.5

$$$$
WAY-323797
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.3333   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1000   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -3.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.2667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.7542    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  1  1  0  0  0  0
  9  5  1  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  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  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 14  1  0  0  0  0
 20  6  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 19 10  1  0  0  0  0
  6  4  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,870)
2695

>  <Formula> (2,870)
C16H18N2O3S2

>  <MolWeight> (2,870)
350.45572

>  <PCAT_CMPD_ID> (2,870)
WAY-323797

>  <CNC_ID> (2,870)
359410539

>  <transfer_container_id> (2,870)
PTN000000073

>  <COMPOUND_NUMBER> (2,870)
WAY-323797

>  <BAR_CODE_NO> (2,870)
298798

>  <LOCATION_CODE> (2,870)
PTNCS

>  <AMOUNT_CURRENT> (2,870)
32.5

$$$$
WAY-323847
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.1000   -4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -2.6417    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
   10.2042   -9.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -5.1750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1375   -3.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0625   -4.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -9.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -7.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -7.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1625  -10.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042  -10.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375  -12.3625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9500   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0875  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -7.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -5.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167   -3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8750    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  9  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  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  8  2  0  0  0  0
 14  4  2  0  0  0  0
 15 13  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  7  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 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 27 22  1  0  0  0  0
  5  6  1  0  0  0  0
 20 26  2  0  0  0  0
 23 24  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,871)
2696

>  <Formula> (2,871)
C21H18FNO4

>  <MolWeight> (2,871)
367.3703232

>  <PCAT_CMPD_ID> (2,871)
WAY-323847

>  <CNC_ID> (2,871)
359410589

>  <transfer_container_id> (2,871)
PTN000000073

>  <COMPOUND_NUMBER> (2,871)
WAY-323847

>  <BAR_CODE_NO> (2,871)
298848

>  <LOCATION_CODE> (2,871)
PTNCS

>  <AMOUNT_CURRENT> (2,871)
32.5

$$$$
WAY-323925
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.9042    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    5.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500    5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    3.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6292    3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042    7.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    5.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  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  7  2  0  0  0  0
 13  3  1  0  0  0  0
 14 20  1  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  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
  5  6  2  0  0  0  0
 21 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,872)
2697

>  <Formula> (2,872)
C13H17N3O4S

>  <MolWeight> (2,872)
311.35678

>  <PCAT_CMPD_ID> (2,872)
WAY-323925

>  <CNC_ID> (2,872)
359410665

>  <transfer_container_id> (2,872)
PTN000000073

>  <COMPOUND_NUMBER> (2,872)
WAY-323925

>  <BAR_CODE_NO> (2,872)
298926

>  <LOCATION_CODE> (2,872)
PTNCS

>  <AMOUNT_CURRENT> (2,872)
32.5

$$$$
WAY-323928
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7792   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -0.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    3.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -3.5667    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  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 14  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  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 11  1  0  0  0  0
 17 22  1  0  0  0  0
 18 16  2  0  0  0  0
 19 16  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  7  2  0  0  0  0
 24 12  2  0  0  0  0
 25 17  1  0  0  0  0
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
  6  3  1  0  0  0  0
 28 24  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,873)
2698

>  <Formula> (2,873)
C20H19N3O4S

>  <MolWeight> (2,873)
397.44756

>  <PCAT_CMPD_ID> (2,873)
WAY-323928

>  <CNC_ID> (2,873)
359410668

>  <transfer_container_id> (2,873)
PTN000000073

>  <COMPOUND_NUMBER> (2,873)
WAY-323928

>  <BAR_CODE_NO> (2,873)
298929

>  <LOCATION_CODE> (2,873)
PTNCS

>  <AMOUNT_CURRENT> (2,873)
32.5

$$$$
WAY-323934
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.2833    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    1.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    2.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    4.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    2.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    3.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -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  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  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17  6  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20  7  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 19  1  0  0  0  0
 25 18  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 26  1  0  0  0  0
  6  3  1  0  0  0  0
 22 29  2  0  0  0  0
 23 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,874)
2699

>  <Formula> (2,874)
C20H19N3O5S

>  <MolWeight> (2,874)
413.44696

>  <PCAT_CMPD_ID> (2,874)
WAY-323934

>  <CNC_ID> (2,874)
359410674

>  <transfer_container_id> (2,874)
PTN000000073

>  <COMPOUND_NUMBER> (2,874)
WAY-323934

>  <BAR_CODE_NO> (2,874)
298935

>  <LOCATION_CODE> (2,874)
PTNCS

>  <AMOUNT_CURRENT> (2,874)
32.5

$$$$
WAY-323939
csChFnd80/11182011152D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4000    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    1.9333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    3.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.0042    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
   -0.1333   -1.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -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  2  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  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  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 11  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 16  1  0  0  0  0
 20 15  1  0  0  0  0
  8  5  2  0  0  0  0
  6  7  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,875)
2700

>  <Formula> (2,875)
C16H21N3S

>  <MolWeight> (2,875)
287.42304

>  <PCAT_CMPD_ID> (2,875)
WAY-323939

>  <CNC_ID> (2,875)
359410679

>  <transfer_container_id> (2,875)
PTN000000073

>  <COMPOUND_NUMBER> (2,875)
WAY-323939

>  <BAR_CODE_NO> (2,875)
298940

>  <LOCATION_CODE> (2,875)
PTNCS

>  <AMOUNT_CURRENT> (2,875)
32.5

$$$$
WAY-323942
csChFnd80/11182011152D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.3000    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167    0.8958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    1.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    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  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  7  2  0  0  0  0
 10  4  2  0  0  0  0
 11  3  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 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
  8  6  2  0  0  0  0
  4  7  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,876)
2701

>  <Formula> (2,876)
C14H16N2S

>  <MolWeight> (2,876)
244.35524

>  <PCAT_CMPD_ID> (2,876)
WAY-323942

>  <CNC_ID> (2,876)
359410682

>  <transfer_container_id> (2,876)
PTN000000073

>  <COMPOUND_NUMBER> (2,876)
WAY-323942

>  <BAR_CODE_NO> (2,876)
298943

>  <LOCATION_CODE> (2,876)
PTNCS

>  <AMOUNT_CURRENT> (2,876)
32.5

$$$$
WAY-323953-A
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.5667   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -0.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2875   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.4292    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
    2.1500   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.2542    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  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  9  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 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  2  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 17 20  2  0  0  0  0
 13  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,877)
2702

>  <Formula> (2,877)
C15H21ClN2O2

>  <MolWeight> (2,877)
296.79244

>  <PCAT_CMPD_ID> (2,877)
WAY-323953-A

>  <CNC_ID> (2,877)
359410693

>  <transfer_container_id> (2,877)
PTN000000073

>  <COMPOUND_NUMBER> (2,877)
WAY-323953-A

>  <BAR_CODE_NO> (2,877)
298954

>  <LOCATION_CODE> (2,877)
PTNCS

>  <AMOUNT_CURRENT> (2,877)
32.5

$$$$
WAY-323955-A
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.0542    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -2.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -4.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7667   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -3.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -1.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3 13  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 10  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  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 16  2  0  0  0  0
 16  9  1  0  0  0  0
 17  8  2  0  0  0  0
 18 15  1  0  0  0  0
 19  3  1  0  0  0  0
 20 10  1  0  0  0  0
 17 15  1  0  0  0  0
 14  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,878)
2703

>  <Formula> (2,878)
C15H21ClN2O2

>  <MolWeight> (2,878)
296.79244

>  <PCAT_CMPD_ID> (2,878)
WAY-323955-A

>  <CNC_ID> (2,878)
359410695

>  <transfer_container_id> (2,878)
PTN000000073

>  <COMPOUND_NUMBER> (2,878)
WAY-323955-A

>  <BAR_CODE_NO> (2,878)
298956

>  <LOCATION_CODE> (2,878)
PTNCS

>  <AMOUNT_CURRENT> (2,878)
32.5

$$$$
WAY-323962
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.5292   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -1.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    2.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -3.7167    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
  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  4  1  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  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  2  0  0  0  0
 14 17  2  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
 18 11  2  0  0  0  0
 19  7  2  0  0  0  0
 20 19  1  0  0  0  0
 21  9  2  0  0  0  0
 22  9  1  0  0  0  0
 23 20  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
  6  4  2  0  0  0  0
 26 25  2  0  0  0  0
 14 18  1  0  0  0  0
 23 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,879)
2704

>  <Formula> (2,879)
C22H18N4

>  <MolWeight> (2,879)
338.40512

>  <PCAT_CMPD_ID> (2,879)
WAY-323962

>  <CNC_ID> (2,879)
359410701

>  <transfer_container_id> (2,879)
PTN000000073

>  <COMPOUND_NUMBER> (2,879)
WAY-323962

>  <BAR_CODE_NO> (2,879)
298963

>  <LOCATION_CODE> (2,879)
PTNCS

>  <AMOUNT_CURRENT> (2,879)
32.5

$$$$
WAY-323980
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.9167    0.4083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917    2.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250    3.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792    2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    0.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.8917    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  9  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 14  1  0  0  0  0
  9 13  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  1  0  0  0  0
 14 16  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 15  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
 21 15  2  0  0  0  0
  4  8  2  0  0  0  0
  5  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,880)
2705

>  <Formula> (2,880)
C15H14N2O3S2

>  <MolWeight> (2,880)
334.41326

>  <PCAT_CMPD_ID> (2,880)
WAY-323980

>  <CNC_ID> (2,880)
359410719

>  <transfer_container_id> (2,880)
PTN000000073

>  <COMPOUND_NUMBER> (2,880)
WAY-323980

>  <BAR_CODE_NO> (2,880)
298981

>  <LOCATION_CODE> (2,880)
PTNCS

>  <AMOUNT_CURRENT> (2,880)
32.5

$$$$
WAY-324028-A
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.7748    7.3512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2872    7.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0770    6.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4935    6.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824    5.8213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7068    7.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8640    6.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8238    8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294    8.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2885    6.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1208    7.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8564    5.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942    6.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8721    6.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0020    5.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2885    7.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0620    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    5.5884    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  8  1  0  0  0  0
  6 12  1  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  7  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  4  2  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 19  2  0  0  0  0
 19 14  1  0  0  0  0
  9 10  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,881)
2706

>  <Formula> (2,881)
C16H21NOS

>  <MolWeight> (2,881)
275.40904

>  <PCAT_CMPD_ID> (2,881)
WAY-324028-A

>  <CNC_ID> (2,881)
359410767

>  <transfer_container_id> (2,881)
PTN000000073

>  <COMPOUND_NUMBER> (2,881)
WAY-324028-A

>  <BAR_CODE_NO> (2,881)
299029

>  <LOCATION_CODE> (2,881)
PTNCS

>  <AMOUNT_CURRENT> (2,881)
32.5

$$$$
WAY-324029-A
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.4288    6.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2246    6.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2151    7.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8467    6.1470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    5.1474    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3189    5.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8140    7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8021    8.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5979    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3832    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0003    8.4779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5698    6.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4056    9.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0509    6.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4431    5.7196    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.1751    8.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    7.7337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2309    9.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0003    9.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6242    9.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2105    8.5246    0.0000 C   0  0  0  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 15  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 17  1  0  0  0  0
 12  6  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18  3  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
  7  9  2  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,882)
2707

>  <Formula> (2,882)
C17H22BrNO2S

>  <MolWeight> (2,882)
384.33108

>  <PCAT_CMPD_ID> (2,882)
WAY-324029-A

>  <CNC_ID> (2,882)
359410768

>  <transfer_container_id> (2,882)
PTN000000073

>  <COMPOUND_NUMBER> (2,882)
WAY-324029-A

>  <BAR_CODE_NO> (2,882)
299030

>  <LOCATION_CODE> (2,882)
PTNCS

>  <AMOUNT_CURRENT> (2,882)
32.5

$$$$
WAY-324037
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.2292    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    3.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    4.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    5.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9875    5.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    7.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875    9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   10.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    3.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875    1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292    9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667   10.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   11.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    9.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   12.1042    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
    2.0542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    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  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14 18  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  2  0  0  0  0
 18 16  2  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 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
  4  5  2  0  0  0  0
  8 15  1  0  0  0  0
 28 27  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,883)
2708

>  <Formula> (2,883)
C21H21N3O3S

>  <MolWeight> (2,883)
395.47474

>  <PCAT_CMPD_ID> (2,883)
WAY-324037

>  <CNC_ID> (2,883)
359410775

>  <transfer_container_id> (2,883)
PTN000000073

>  <COMPOUND_NUMBER> (2,883)
WAY-324037

>  <BAR_CODE_NO> (2,883)
299038

>  <LOCATION_CODE> (2,883)
PTNCS

>  <AMOUNT_CURRENT> (2,883)
32.5

$$$$
WAY-324055
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.8833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.8167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -1.3000    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
   -2.2000   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.6542    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
    0.2042    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    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 13  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  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  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  4  2  0  0  0  0
 17 15  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 15  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 26  2  0  0  0  0
 12 14  2  0  0  0  0
 24 25  1  0  0  0  0
  3 10  1  0  0  0  0
 27 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,884)
2709

>  <Formula> (2,884)
C20H17N5OS

>  <MolWeight> (2,884)
375.44688

>  <PCAT_CMPD_ID> (2,884)
WAY-324055

>  <CNC_ID> (2,884)
359410793

>  <transfer_container_id> (2,884)
PTN000000073

>  <COMPOUND_NUMBER> (2,884)
WAY-324055

>  <BAR_CODE_NO> (2,884)
299056

>  <LOCATION_CODE> (2,884)
PTNCS

>  <AMOUNT_CURRENT> (2,884)
32.5

$$$$
WAY-324060
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.7000    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    4.2000    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
    6.2000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    4.9000    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
   11.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    6.3000    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
    5.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    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  4  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  1  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  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14  2  2  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17 10  2  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 18  2  0  0  0  0
 24 20  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
 26 23  1  0  0  0  0
 16 24  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,885)
2710

>  <Formula> (2,885)
C22H20ClNO2

>  <MolWeight> (2,885)
365.8527

>  <PCAT_CMPD_ID> (2,885)
WAY-324060

>  <CNC_ID> (2,885)
359410798

>  <transfer_container_id> (2,885)
PTN000000073

>  <COMPOUND_NUMBER> (2,885)
WAY-324060

>  <BAR_CODE_NO> (2,885)
299061

>  <LOCATION_CODE> (2,885)
PTNCS

>  <AMOUNT_CURRENT> (2,885)
32.5

$$$$
WAY-324062
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.8792   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -2.9542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000   -3.4375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8875   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542   -2.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375   -0.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -7.1500    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  7  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  6  2  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  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
  4  5  1  0  0  0  0
 22 23  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,886)
2711

>  <Formula> (2,886)
C15H13N3O3S2

>  <MolWeight> (2,886)
347.41202

>  <PCAT_CMPD_ID> (2,886)
WAY-324062

>  <CNC_ID> (2,886)
359410800

>  <transfer_container_id> (2,886)
PTN000000073

>  <COMPOUND_NUMBER> (2,886)
WAY-324062

>  <BAR_CODE_NO> (2,886)
299063

>  <LOCATION_CODE> (2,886)
PTNCS

>  <AMOUNT_CURRENT> (2,886)
32.5

$$$$
WAY-324063
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.8167   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0792   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -2.9875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -3.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8375   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -1.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667   -3.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.0167    0.0000 C   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
    5.4000   -1.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -7.9292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -7.0875    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  7  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  6  2  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 23  2  0  0  0  0
 20 19  1  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
  4  5  1  0  0  0  0
 24 19  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,887)
2712

>  <Formula> (2,887)
C15H12ClN3O3S2

>  <MolWeight> (2,887)
381.85708

>  <PCAT_CMPD_ID> (2,887)
WAY-324063

>  <CNC_ID> (2,887)
359410801

>  <transfer_container_id> (2,887)
PTN000000073

>  <COMPOUND_NUMBER> (2,887)
WAY-324063

>  <BAR_CODE_NO> (2,887)
299064

>  <LOCATION_CODE> (2,887)
PTNCS

>  <AMOUNT_CURRENT> (2,887)
32.5

$$$$
WAY-324080
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.8977    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977   -0.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977    0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023   -1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977   -1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9023    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    1.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6977    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9023   -0.8899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023   -2.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6977   -0.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8058    0.6964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    2.7584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6632    1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6977   -0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977   -2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    1.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  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
  7 13  1  0  0  0  0
  8 14  3  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,888)
2713

>  <Formula> (2,888)
C17H25N3O

>  <MolWeight> (2,888)
287.3999

>  <PCAT_CMPD_ID> (2,888)
WAY-324080

>  <CNC_ID> (2,888)
359410817

>  <transfer_container_id> (2,888)
PTN000000073

>  <COMPOUND_NUMBER> (2,888)
WAY-324080

>  <BAR_CODE_NO> (2,888)
299081

>  <LOCATION_CODE> (2,888)
PTNCS

>  <AMOUNT_CURRENT> (2,888)
32.5

$$$$
WAY-324105
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.1875   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -0.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9042   -1.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0167   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    0.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.1958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4875   -3.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375   -2.0542    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  8  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  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  2  2  0  0  0  0
 16  3  2  0  0  0  0
 17 13  2  0  0  0  0
 18  8  2  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 13  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
  5  4  1  0  0  0  0
 14 12  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,889)
2714

>  <Formula> (2,889)
C17H17ClN2O4

>  <MolWeight> (2,889)
348.78088

>  <PCAT_CMPD_ID> (2,889)
WAY-324105

>  <CNC_ID> (2,889)
359410842

>  <transfer_container_id> (2,889)
PTN000000073

>  <COMPOUND_NUMBER> (2,889)
WAY-324105

>  <BAR_CODE_NO> (2,889)
299106

>  <LOCATION_CODE> (2,889)
PTNCS

>  <AMOUNT_CURRENT> (2,889)
32.5

$$$$
WAY-324199
csChFnd80/11182011152D

 26 30  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
    6.4042   -9.0000    0.0000 C   0  0  0  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
    5.6542   -8.5667    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
    7.1500   -8.5500    0.0000 N   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
    5.6042   -5.1542    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
    6.4167   -9.8500    0.0000 O   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
    4.9292   -9.0042    0.0000 C   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
    7.1292   -7.7000    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
    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 11  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  1  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 15  1  0  0  0  0
 17  9  2  0  0  0  0
 18  6  1  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 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
  8 12  1  0  0  0  0
  3  5  1  0  0  0  0
  8 16  1  0  0  0  0
 19 18  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,890)
2715

>  <Formula> (2,890)
C23H26N2O

>  <MolWeight> (2,890)
346.46534

>  <PCAT_CMPD_ID> (2,890)
WAY-324199

>  <CNC_ID> (2,890)
359410936

>  <transfer_container_id> (2,890)
PTN000000073

>  <COMPOUND_NUMBER> (2,890)
WAY-324199

>  <BAR_CODE_NO> (2,890)
299200

>  <LOCATION_CODE> (2,890)
PTNCS

>  <AMOUNT_CURRENT> (2,890)
32.5

$$$$
WAY-324207
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0167    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    6.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0375    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    6.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167    6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042    7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375    8.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2500    6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9167    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8375    7.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6792    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    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  4  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  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  2  0  0  0  0
 10  2  2  0  0  0  0
 11 13  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16  7  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  2  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 13  2  0  0  0  0
 24 12  2  0  0  0  0
 25 12  1  0  0  0  0
 26 16  1  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
  3  2  1  0  0  0  0
 20  9  1  0  0  0  0
 10 17  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,891)
2716

>  <Formula> (2,891)
C23H19ClN4O2

>  <MolWeight> (2,891)
418.87556

>  <PCAT_CMPD_ID> (2,891)
WAY-324207

>  <CNC_ID> (2,891)
359410944

>  <transfer_container_id> (2,891)
PTN000000073

>  <COMPOUND_NUMBER> (2,891)
WAY-324207

>  <BAR_CODE_NO> (2,891)
299208

>  <LOCATION_CODE> (2,891)
PTNCS

>  <AMOUNT_CURRENT> (2,891)
32.5

$$$$
WAY-324212
csChFnd80/11182011152D

 24 28  0  0  0  0  0  0  0  0999 V2000
   -1.5208   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.1458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3625    0.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -1.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125   -1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7458   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833    1.3958    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  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  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  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 10  1  0  0  0  0
 19 13  2  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 24  1  0  0  0  0
 24 18  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,892)
2717

>  <Formula> (2,892)
C20H16N4

>  <MolWeight> (2,892)
312.36784

>  <PCAT_CMPD_ID> (2,892)
WAY-324212

>  <CNC_ID> (2,892)
359410949

>  <transfer_container_id> (2,892)
PTN000000073

>  <COMPOUND_NUMBER> (2,892)
WAY-324212

>  <BAR_CODE_NO> (2,892)
299213

>  <LOCATION_CODE> (2,892)
PTNCS

>  <AMOUNT_CURRENT> (2,892)
32.5

$$$$
WAY-324213
csChFnd80/11182011152D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -0.3125    0.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    0.9208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3125   -1.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.4042    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
    1.3292    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833    1.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    2.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -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  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  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  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 12  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  9  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 20  2  0  0  0  0
  4  9  1  0  0  0  0
  6  8  2  0  0  0  0
 22 18  1  0  0  0  0
 13 14  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,893)
2718

>  <Formula> (2,893)
C18H13N3O

>  <MolWeight> (2,893)
287.31532

>  <PCAT_CMPD_ID> (2,893)
WAY-324213

>  <CNC_ID> (2,893)
359410950

>  <transfer_container_id> (2,893)
PTN000000073

>  <COMPOUND_NUMBER> (2,893)
WAY-324213

>  <BAR_CODE_NO> (2,893)
299214

>  <LOCATION_CODE> (2,893)
PTNCS

>  <AMOUNT_CURRENT> (2,893)
32.5

$$$$
WAY-324228
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.5167    0.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.5458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2167    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -0.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    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  1  1  0  0  0  0
  4  3  1  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  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  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  6  2  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  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
  6  5  1  0  0  0  0
 22 19  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,894)
2719

>  <Formula> (2,894)
C20H29NO

>  <MolWeight> (2,894)
299.45036

>  <PCAT_CMPD_ID> (2,894)
WAY-324228

>  <CNC_ID> (2,894)
359410965

>  <transfer_container_id> (2,894)
PTN000000073

>  <COMPOUND_NUMBER> (2,894)
WAY-324228

>  <BAR_CODE_NO> (2,894)
299229

>  <LOCATION_CODE> (2,894)
PTNCS

>  <AMOUNT_CURRENT> (2,894)
32.5

$$$$
WAY-324232
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.1125    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    2.0708    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  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  2  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
 24 20  1  0  0  0  0
  8  4  1  0  0  0  0
 10  9  1  0  0  0  0
 23 24  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,895)
2720

>  <Formula> (2,895)
C18H15N3O2S

>  <MolWeight> (2,895)
337.3956

>  <PCAT_CMPD_ID> (2,895)
WAY-324232

>  <CNC_ID> (2,895)
359410969

>  <transfer_container_id> (2,895)
PTN000000073

>  <COMPOUND_NUMBER> (2,895)
WAY-324232

>  <BAR_CODE_NO> (2,895)
299233

>  <LOCATION_CODE> (2,895)
PTNCS

>  <AMOUNT_CURRENT> (2,895)
32.5

$$$$
WAY-324266
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.5167   -3.1042    0.0000 S   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
    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
    4.3667   -3.9292    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
    1.9667   -3.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.4000    0.0000 O   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
    5.1000   -2.7000    0.0000 O   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
    3.6667   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -4.5000    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
    0.9000   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -5.7667    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  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  3  2  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  5  1  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 13  1  0  0  0  0
 19 14  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 18  1  0  0  0  0
 24 19  1  0  0  0  0
 21 22  2  0  0  0  0
 12  4  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,896)
2721

>  <Formula> (2,896)
C18H26N2O3S

>  <MolWeight> (2,896)
350.47564

>  <PCAT_CMPD_ID> (2,896)
WAY-324266

>  <CNC_ID> (2,896)
359411003

>  <transfer_container_id> (2,896)
PTN000000073

>  <COMPOUND_NUMBER> (2,896)
WAY-324266

>  <BAR_CODE_NO> (2,896)
299267

>  <LOCATION_CODE> (2,896)
PTNCS

>  <AMOUNT_CURRENT> (2,896)
32.5

$$$$
WAY-324312
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.5125    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    3.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    3.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    2.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458    2.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.4375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.2958    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
    1.5875   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -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  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 15  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  2  1  0  0  0  0
 14 10  1  0  0  0  0
 15 20  1  0  0  0  0
 16 23  2  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19 16  1  0  0  0  0
 20 13  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  7  1  0  0  0  0
 26  9  1  0  0  0  0
 27 18  1  0  0  0  0
 28 17  1  0  0  0  0
 29 27  1  0  0  0  0
  6  4  2  0  0  0  0
 28 29  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,897)
2722

>  <Formula> (2,897)
C19H25ClN6O3

>  <MolWeight> (2,897)
420.8932

>  <PCAT_CMPD_ID> (2,897)
WAY-324312

>  <CNC_ID> (2,897)
359411048

>  <transfer_container_id> (2,897)
PTN000000073

>  <COMPOUND_NUMBER> (2,897)
WAY-324312

>  <BAR_CODE_NO> (2,897)
299313

>  <LOCATION_CODE> (2,897)
PTNCS

>  <AMOUNT_CURRENT> (2,897)
32.5

$$$$
WAY-324736
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.9564    4.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708    5.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2767    6.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708    3.6534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0708    3.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5254    6.1242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    7.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6566    3.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7692    2.4324    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0573    7.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1596    2.4260    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8516    3.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7804    4.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758    8.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0722    2.6722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1644    4.8377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1373    0.0000    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
   12.2740    3.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758    4.2735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7388    9.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0740    1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8548    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747    6.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6265    6.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    8.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521    3.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6813   10.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4904    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  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  5  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16 12  2  0  0  0  0
 17 18  2  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  1  0  0  0  0
 21 14  2  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 24 10  2  0  0  0  0
 25 24  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 27  1  0  0  0  0
  7  3  2  0  0  0  0
 17 23  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,898)
2723

>  <Formula> (2,898)
C22H23NO5S

>  <MolWeight> (2,898)
413.48672

>  <PCAT_CMPD_ID> (2,898)
WAY-324736

>  <CNC_ID> (2,898)
359411468

>  <transfer_container_id> (2,898)
PTN000000073

>  <COMPOUND_NUMBER> (2,898)
WAY-324736

>  <BAR_CODE_NO> (2,898)
299737

>  <LOCATION_CODE> (2,898)
PTNCS

>  <AMOUNT_CURRENT> (2,898)
32.5

$$$$
WAY-324781
csChFnd80/11182011152D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -8.3750   11.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -10.5042   12.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -12.6292    8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5042    7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3750    8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6292   10.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375   12.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5042   14.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0333   11.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375   14.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6292   15.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   12.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3750   16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   11.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   12.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   11.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8750    7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5042    4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    7.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    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  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  7  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  1  0  0  0  0
 15 19  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  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
  3  6  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,899)
2724

>  <Formula> (2,899)
C18H23NO4

>  <MolWeight> (2,899)
317.37952

>  <PCAT_CMPD_ID> (2,899)
WAY-324781

>  <CNC_ID> (2,899)
359411512

>  <transfer_container_id> (2,899)
PTN000000073

>  <COMPOUND_NUMBER> (2,899)
WAY-324781

>  <BAR_CODE_NO> (2,899)
299782

>  <LOCATION_CODE> (2,899)
PTNCS

>  <AMOUNT_CURRENT> (2,899)
32.5

$$$$
WAY-324410
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6625    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    2.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.3125    0.0000 C   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
   -0.1833    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    3.1833    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
   -2.2833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -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  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  7  2  0  0  0  0
 11  3  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  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  2  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
  4  5  2  0  0  0  0
 18 17  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,900)
2725

>  <Formula> (2,900)
C16H15N3O2

>  <MolWeight> (2,900)
281.3092

>  <PCAT_CMPD_ID> (2,900)
WAY-324410

>  <CNC_ID> (2,900)
359411145

>  <transfer_container_id> (2,900)
PTN000000073

>  <COMPOUND_NUMBER> (2,900)
WAY-324410

>  <BAR_CODE_NO> (2,900)
299411

>  <LOCATION_CODE> (2,900)
PTNCS

>  <AMOUNT_CURRENT> (2,900)
32.5

$$$$
WAY-324454
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.7542    5.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    5.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    2.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    3.0833    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
   -0.3208    2.6125    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  2  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 16  1  0  0  0  0
 11  4  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 13  1  0  0  0  0
 16 18  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
  2  4  2  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,901)
2726

>  <Formula> (2,901)
C15H20N2O

>  <MolWeight> (2,901)
244.3321

>  <PCAT_CMPD_ID> (2,901)
WAY-324454

>  <CNC_ID> (2,901)
359411188

>  <transfer_container_id> (2,901)
PTN000000073

>  <COMPOUND_NUMBER> (2,901)
WAY-324454

>  <BAR_CODE_NO> (2,901)
299455

>  <LOCATION_CODE> (2,901)
PTNCS

>  <AMOUNT_CURRENT> (2,901)
32.5

$$$$
WAY-324460
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0443    0.5255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110   -0.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2235   -0.0453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360   -0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4068    0.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110   -0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2765    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568   -0.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765    0.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068    0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390   -0.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -0.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7390    0.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1443    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0390   -0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    0.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5015   -0.2828    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 14  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 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
  4  2  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,902)
2727

>  <Formula> (2,902)
C14H18N2O

>  <MolWeight> (2,902)
230.30552

>  <PCAT_CMPD_ID> (2,902)
WAY-324460

>  <CNC_ID> (2,902)
359411194

>  <transfer_container_id> (2,902)
PTN000000073

>  <COMPOUND_NUMBER> (2,902)
WAY-324460

>  <BAR_CODE_NO> (2,902)
299461

>  <LOCATION_CODE> (2,902)
PTNCS

>  <AMOUNT_CURRENT> (2,902)
32.5

$$$$
WAY-324465-A
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.3167   -1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    1.9542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750    3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    3.2042    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  1  1  0  0  0  0
  6  2  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  8  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 17  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 19  1  0  0  0  0
 19 13  2  0  0  0  0
 10  9  1  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,903)
2728

>  <Formula> (2,903)
C16H24BrNO

>  <MolWeight> (2,903)
326.27186

>  <PCAT_CMPD_ID> (2,903)
WAY-324465-A

>  <CNC_ID> (2,903)
359411199

>  <transfer_container_id> (2,903)
PTN000000073

>  <COMPOUND_NUMBER> (2,903)
WAY-324465-A

>  <BAR_CODE_NO> (2,903)
299466

>  <LOCATION_CODE> (2,903)
PTNCS

>  <AMOUNT_CURRENT> (2,903)
32.5

$$$$
WAY-324509
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.9375   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -2.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -2.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -3.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2000   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -6.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3500   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  7  2  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 15  1  0  0  0  0
 10 16  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  6  2  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 14  1  0  0  0  0
 22  6  1  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 20  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 28 23  2  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,904)
2729

>  <Formula> (2,904)
C20H20N4O4

>  <MolWeight> (2,904)
380.3972

>  <PCAT_CMPD_ID> (2,904)
WAY-324509

>  <CNC_ID> (2,904)
359411243

>  <transfer_container_id> (2,904)
PTN000000073

>  <COMPOUND_NUMBER> (2,904)
WAY-324509

>  <BAR_CODE_NO> (2,904)
299510

>  <LOCATION_CODE> (2,904)
PTNCS

>  <AMOUNT_CURRENT> (2,904)
32.5

$$$$
WAY-324672
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.6465    4.1189    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0051    3.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5631    4.7926    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5536    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714    3.9072    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0009    4.5809    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    5.5240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9474    2.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196    5.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    4.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1010    3.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1716    2.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037    7.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5361    1.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7751    3.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    5.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7576    2.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9299    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1529    3.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2265    4.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7357    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0269    5.8897    0.0000 C   0  0  0  0  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  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  2  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 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  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
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,905)
2730

>  <Formula> (2,905)
C17H21NO4

>  <MolWeight> (2,905)
303.35294

>  <PCAT_CMPD_ID> (2,905)
WAY-324672

>  <CNC_ID> (2,905)
359411405

>  <transfer_container_id> (2,905)
PTN000000073

>  <COMPOUND_NUMBER> (2,905)
WAY-324672

>  <BAR_CODE_NO> (2,905)
299673

>  <LOCATION_CODE> (2,905)
PTNCS

>  <AMOUNT_CURRENT> (2,905)
32.5

$$$$
WAY-324683
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.9438    2.6031    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3430    2.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6733    3.2026    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4928    1.9436    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2373    2.5898    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2147    1.6030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5789    1.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1692    4.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5339    0.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087    3.6668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0581    3.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703    0.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7764    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1941    5.7356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    3.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8981    1.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835    4.7354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3774    2.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1564    4.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7848    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6072    5.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2057    0.3807    0.0000 C   0  0  0  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  4  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  8  1  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 12  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 12  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
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,906)
2731

>  <Formula> (2,906)
C16H19NO6

>  <MolWeight> (2,906)
321.32516

>  <PCAT_CMPD_ID> (2,906)
WAY-324683

>  <CNC_ID> (2,906)
359411416

>  <transfer_container_id> (2,906)
PTN000000073

>  <COMPOUND_NUMBER> (2,906)
WAY-324683

>  <BAR_CODE_NO> (2,906)
299684

>  <LOCATION_CODE> (2,906)
PTNCS

>  <AMOUNT_CURRENT> (2,906)
32.5

$$$$
WAY-324795
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.2250    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.9208    0.0000 C   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
   -3.3625   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    2.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    2.0958    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
    1.2792   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -1.6667    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  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  1  2  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  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
 22 21  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
  7  9  1  0  0  0  0
  5  6  1  0  0  0  0
 21 19  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,907)
2732

>  <Formula> (2,907)
C22H21N3O2

>  <MolWeight> (2,907)
359.42104

>  <PCAT_CMPD_ID> (2,907)
WAY-324795

>  <CNC_ID> (2,907)
359411526

>  <transfer_container_id> (2,907)
PTN000000073

>  <COMPOUND_NUMBER> (2,907)
WAY-324795

>  <BAR_CODE_NO> (2,907)
299796

>  <LOCATION_CODE> (2,907)
PTNCS

>  <AMOUNT_CURRENT> (2,907)
32.5

$$$$
WAY-324804
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3738   -0.1658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4779   -0.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3152    0.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3324   -0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0186   -1.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434   -0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0779   -1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676    1.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5014    0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -1.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262   -1.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6469    0.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365    2.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5359    1.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2221   -0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3952   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    1.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9296    2.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3945    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814   -0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745   -1.8555    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
  5 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  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
  6  8  1  0  0  0  0
 16 20  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,908)
2733

>  <Formula> (2,908)
C18H17NO3

>  <MolWeight> (2,908)
295.33248

>  <PCAT_CMPD_ID> (2,908)
WAY-324804

>  <CNC_ID> (2,908)
359411535

>  <transfer_container_id> (2,908)
PTN000000073

>  <COMPOUND_NUMBER> (2,908)
WAY-324804

>  <BAR_CODE_NO> (2,908)
299805

>  <LOCATION_CODE> (2,908)
PTNCS

>  <AMOUNT_CURRENT> (2,908)
32.5

$$$$
WAY-324844
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.5625   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -4.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -1.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -2.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -9.5042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6375   -3.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8042   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8125   -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  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  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11 23  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 30  1  0  0  0  0
 16  9  2  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 17  2  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 29  1  0  0  0  0
 25  8  1  0  0  0  0
 26 11  1  0  0  0  0
 27 11  1  0  0  0  0
 28 25  1  0  0  0  0
 29 14  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
  5  3  1  0  0  0  0
 18 28  1  0  0  0  0
 21 19  2  0  0  0  0
 31 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,909)
2734

>  <Formula> (2,909)
C23H26ClN3O4

>  <MolWeight> (2,909)
443.92324

>  <PCAT_CMPD_ID> (2,909)
WAY-324844

>  <CNC_ID> (2,909)
359411576

>  <transfer_container_id> (2,909)
PTN000000073

>  <COMPOUND_NUMBER> (2,909)
WAY-324844

>  <BAR_CODE_NO> (2,909)
299845

>  <LOCATION_CODE> (2,909)
PTNCS

>  <AMOUNT_CURRENT> (2,909)
32.5

$$$$
WAY-324849
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.5757    4.8463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    3.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    5.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    4.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    5.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757    4.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6821    3.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757    3.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7821    2.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1692    2.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1892    2.3791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1892    7.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8628    3.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757    2.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8757    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    6.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7757    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1757    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2628    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9563    2.4349    0.0000 C   0  0  0  0  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  9  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  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16  5  2  0  0  0  0
 17  4  2  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  2  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
  5  4  1  0  0  0  0
 23 24  2  0  0  0  0
 15 21  1  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,910)
2735

>  <Formula> (2,910)
C19H13N3O3

>  <MolWeight> (2,910)
331.32482

>  <PCAT_CMPD_ID> (2,910)
WAY-324849

>  <CNC_ID> (2,910)
359411581

>  <transfer_container_id> (2,910)
PTN000000073

>  <COMPOUND_NUMBER> (2,910)
WAY-324849

>  <BAR_CODE_NO> (2,910)
299850

>  <LOCATION_CODE> (2,910)
PTNCS

>  <AMOUNT_CURRENT> (2,910)
32.5

$$$$
WAY-324853
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.7667   -4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -6.9125    0.0000 O   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
   13.0292    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4750   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917    1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292    1.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3917   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8875    2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1500    4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917    4.1292    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  2  0  0  0  0
  6  7  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  8  2  0  0  0  0
 11  5  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 14  1  0  0  0  0
 16 13  1  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  8  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
  4  5  1  0  0  0  0
 18 22  1  0  0  0  0
 11 16  2  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,911)
2736

>  <Formula> (2,911)
C19H18N2O3

>  <MolWeight> (2,911)
322.35782

>  <PCAT_CMPD_ID> (2,911)
WAY-324853

>  <CNC_ID> (2,911)
359411585

>  <transfer_container_id> (2,911)
PTN000000073

>  <COMPOUND_NUMBER> (2,911)
WAY-324853

>  <BAR_CODE_NO> (2,911)
299854

>  <LOCATION_CODE> (2,911)
PTNCS

>  <AMOUNT_CURRENT> (2,911)
32.5

$$$$
WAY-324865
csChFnd80/11182011152D

 19 22  0  0  0  0  0  0  0  0999 V2000
    2.6167   -0.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -1.3042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -0.4875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6417   -1.7250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6417   -0.0667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4500   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708   -1.3125    0.0000 C   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
    0.8542   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -2.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -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  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  5  1  0  0  0  0
  8  1  1  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  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
  5  3  1  0  0  0  0
 17 19  1  0  0  0  0
 11  6  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,912)
2737

>  <Formula> (2,912)
C15H14N2O2

>  <MolWeight> (2,912)
254.28386

>  <PCAT_CMPD_ID> (2,912)
WAY-324865

>  <CNC_ID> (2,912)
359411595

>  <transfer_container_id> (2,912)
PTN000000073

>  <COMPOUND_NUMBER> (2,912)
WAY-324865

>  <BAR_CODE_NO> (2,912)
299866

>  <LOCATION_CODE> (2,912)
PTNCS

>  <AMOUNT_CURRENT> (2,912)
32.5

$$$$
WAY-324868
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.2283    4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965    4.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5157    2.7281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    5.9069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2757    6.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    5.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6585    6.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2709    5.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8471    7.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371    7.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0719    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885    6.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626    8.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7352    8.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967    9.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0311    7.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7710    9.6436    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8424    2.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4748    1.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555    0.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1230    0.9235    0.0000 C   0  0  0  0  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  5  1  0  0  0  0
  7  4  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  9  1  0  0  0  0
 12 21  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  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  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
 22 12  1  0  0  0  0
 17 15  2  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,913)
2738

>  <Formula> (2,913)
C17H18FNO3

>  <MolWeight> (2,913)
303.3281232

>  <PCAT_CMPD_ID> (2,913)
WAY-324868

>  <CNC_ID> (2,913)
359411598

>  <transfer_container_id> (2,913)
PTN000000073

>  <COMPOUND_NUMBER> (2,913)
WAY-324868

>  <BAR_CODE_NO> (2,913)
299869

>  <LOCATION_CODE> (2,913)
PTNCS

>  <AMOUNT_CURRENT> (2,913)
32.5

$$$$
WAY-324881
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.8417    0.1583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917   -5.1750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -6.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6167    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500   -5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1417    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4542    0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -7.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.2083    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
    8.5875   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917   -9.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -9.4500    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  6  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  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  4  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16  3  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 10  1  0  0  0  0
 21 10  2  0  0  0  0
 22 17  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 20  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
 26 28  1  0  0  0  0
 14  5  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,914)
2739

>  <Formula> (2,914)
C20H26N2O5S2

>  <MolWeight> (2,914)
438.56084

>  <PCAT_CMPD_ID> (2,914)
WAY-324881

>  <CNC_ID> (2,914)
359411610

>  <transfer_container_id> (2,914)
PTN000000073

>  <COMPOUND_NUMBER> (2,914)
WAY-324881

>  <BAR_CODE_NO> (2,914)
299882

>  <LOCATION_CODE> (2,914)
PTNCS

>  <AMOUNT_CURRENT> (2,914)
32.5

$$$$
WAY-324888
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.4375   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -7.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -5.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -7.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5375   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -6.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -7.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125  -10.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125  -11.6667    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  5  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  7  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 17  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 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 15  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
 20 18  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,915)
2740

>  <Formula> (2,915)
C17H16N4O2

>  <MolWeight> (2,915)
308.33454

>  <PCAT_CMPD_ID> (2,915)
WAY-324888

>  <CNC_ID> (2,915)
359411617

>  <transfer_container_id> (2,915)
PTN000000073

>  <COMPOUND_NUMBER> (2,915)
WAY-324888

>  <BAR_CODE_NO> (2,915)
299889

>  <LOCATION_CODE> (2,915)
PTNCS

>  <AMOUNT_CURRENT> (2,915)
32.5

$$$$
WAY-324890
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.7417   -5.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -7.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -5.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292   -6.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6417   -4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   -3.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0917   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417   -9.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -7.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1292   -3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -9.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042  -11.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.3792    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  5  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  7  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 20  1  0  0  0  0
 16 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  2  5  1  0  0  0  0
 15 17  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,916)
2741

>  <Formula> (2,916)
C17H16N4O3

>  <MolWeight> (2,916)
324.33394

>  <PCAT_CMPD_ID> (2,916)
WAY-324890

>  <CNC_ID> (2,916)
359411619

>  <transfer_container_id> (2,916)
PTN000000073

>  <COMPOUND_NUMBER> (2,916)
WAY-324890

>  <BAR_CODE_NO> (2,916)
299891

>  <LOCATION_CODE> (2,916)
PTNCS

>  <AMOUNT_CURRENT> (2,916)
32.5

$$$$
WAY-324897
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.2175    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1097    4.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278    5.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4574    2.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    2.4872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    3.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0407    3.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    4.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838    3.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1362    5.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3046    5.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1061    6.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3864    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2749    1.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9129    5.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1543    6.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4819    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861    6.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602    0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105    0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9687    0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6560    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    7.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560    7.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471    6.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8652    7.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815    7.7321    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  7  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  4  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  5  1  0  0  0  0
 14  4  1  0  0  0  0
 15 11  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 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 18  2  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
  9  2  1  0  0  0  0
  6  2  1  0  0  0  0
 24 28  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,917)
2742

>  <Formula> (2,917)
C25H32N2O

>  <MolWeight> (2,917)
376.53438

>  <PCAT_CMPD_ID> (2,917)
WAY-324897

>  <CNC_ID> (2,917)
359411626

>  <transfer_container_id> (2,917)
PTN000000073

>  <COMPOUND_NUMBER> (2,917)
WAY-324897

>  <BAR_CODE_NO> (2,917)
299898

>  <LOCATION_CODE> (2,917)
PTNCS

>  <AMOUNT_CURRENT> (2,917)
32.5

$$$$
WAY-324913
csChFnd80/11182011152D

 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> (2,918)
2743

>  <Formula> (2,918)
C22H18FN3O3S

>  <MolWeight> (2,918)
423.4600232

>  <PCAT_CMPD_ID> (2,918)
WAY-324913

>  <CNC_ID> (2,918)
359411642

>  <transfer_container_id> (2,918)
PTN000000073

>  <COMPOUND_NUMBER> (2,918)
WAY-324913

>  <BAR_CODE_NO> (2,918)
299914

>  <LOCATION_CODE> (2,918)
PTNCS

>  <AMOUNT_CURRENT> (2,918)
32.5

$$$$
WAY-324942
csChFnd80/11182011152D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.6335    5.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7715    6.4154    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    6.4383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    4.1983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458    7.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1808    8.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661    8.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2637    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2637    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7008    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6 12  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  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  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 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  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
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 22 17  1  0  0  0  0
 16 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,919)
2744

>  <Formula> (2,919)
C17H14N4S

>  <MolWeight> (2,919)
306.38486

>  <PCAT_CMPD_ID> (2,919)
WAY-324942

>  <CNC_ID> (2,919)
359411671

>  <transfer_container_id> (2,919)
PTN000000073

>  <COMPOUND_NUMBER> (2,919)
WAY-324942

>  <BAR_CODE_NO> (2,919)
299943

>  <LOCATION_CODE> (2,919)
PTNCS

>  <AMOUNT_CURRENT> (2,919)
32.5

$$$$
WAY-324943
csChFnd80/11182011152D

 28 32  0  0  0  0  0  0  0  0999 V2000
    8.3417    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125    4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    1.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    1.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    3.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2667    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5292    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5292    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  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  1  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 10  1  0  0  0  0
 12  6  2  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 19  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  2  0  0  0  0
 19 13  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 17  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 26  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 11 13  2  0  0  0  0
 16 17  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,920)
2745

>  <Formula> (2,920)
C22H21N3O2S

>  <MolWeight> (2,920)
391.48604

>  <PCAT_CMPD_ID> (2,920)
WAY-324943

>  <CNC_ID> (2,920)
359411672

>  <transfer_container_id> (2,920)
PTN000000073

>  <COMPOUND_NUMBER> (2,920)
WAY-324943

>  <BAR_CODE_NO> (2,920)
299944

>  <LOCATION_CODE> (2,920)
PTNCS

>  <AMOUNT_CURRENT> (2,920)
32.5

$$$$
WAY-324961
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.7625   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -4.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625   -5.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5375   -2.6042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -4.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -4.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6167   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -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  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 10  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 23  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15  4  1  0  0  0  0
 16 18  2  0  0  0  0
 17 13  2  0  0  0  0
 18 14  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  6  2  0  0  0  0
 22 12  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,921)
2746

>  <Formula> (2,921)
C18H20BrNO4

>  <MolWeight> (2,921)
394.2597

>  <PCAT_CMPD_ID> (2,921)
WAY-324961

>  <CNC_ID> (2,921)
359411690

>  <transfer_container_id> (2,921)
PTN000000073

>  <COMPOUND_NUMBER> (2,921)
WAY-324961

>  <BAR_CODE_NO> (2,921)
299962

>  <LOCATION_CODE> (2,921)
PTNCS

>  <AMOUNT_CURRENT> (2,921)
32.5

$$$$
WAY-324964
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.3292   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4375   -3.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -4.0542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -6.2292    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  1  0  0  0  0
  6  9  1  0  0  0  0
  7 17  2  0  0  0  0
  8  2  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  2  0  0  0  0
 11  9  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  4  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  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 11  1  0  0  0  0
 22  2  2  0  0  0  0
 23  6  2  0  0  0  0
 24 21  1  0  0  0  0
 25  8  2  0  0  0  0
 26 14  2  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 27  2  0  0  0  0
 16  7  1  0  0  0  0
 25 30  1  0  0  0  0
 14 24  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,922)
2747

>  <Formula> (2,922)
C24H21ClN2O3

>  <MolWeight> (2,922)
420.88814

>  <PCAT_CMPD_ID> (2,922)
WAY-324964

>  <CNC_ID> (2,922)
359411693

>  <transfer_container_id> (2,922)
PTN000000073

>  <COMPOUND_NUMBER> (2,922)
WAY-324964

>  <BAR_CODE_NO> (2,922)
299965

>  <LOCATION_CODE> (2,922)
PTNCS

>  <AMOUNT_CURRENT> (2,922)
32.5

$$$$
WAY-324968
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.3292   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -3.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.4292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4375   -3.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875   -5.2125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -1.1875    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  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8 13  1  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11  5  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  3  1  0  0  0  0
 16 19  2  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 15  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23  5  2  0  0  0  0
 24 23  1  0  0  0  0
 25  6  2  0  0  0  0
 26 22  1  0  0  0  0
 27 14  2  0  0  0  0
 28 24  2  0  0  0  0
 29 25  1  0  0  0  0
 30 29  2  0  0  0  0
 18 28  1  0  0  0  0
 16  7  1  0  0  0  0
 14 26  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,923)
2748

>  <Formula> (2,923)
C24H21BrN2O3

>  <MolWeight> (2,923)
465.33914

>  <PCAT_CMPD_ID> (2,923)
WAY-324968

>  <CNC_ID> (2,923)
359411697

>  <transfer_container_id> (2,923)
PTN000000073

>  <COMPOUND_NUMBER> (2,923)
WAY-324968

>  <BAR_CODE_NO> (2,923)
299969

>  <LOCATION_CODE> (2,923)
PTNCS

>  <AMOUNT_CURRENT> (2,923)
32.5

$$$$
WAY-324973
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6375   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -1.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9167   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -2.7750    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
    3.6375   -0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -2.9417    0.0000 C   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
    1.4875    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.9583    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  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  1  2  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 11  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  2  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 14  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
 20 19  1  0  0  0  0
 21 23  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,924)
2749

>  <Formula> (2,924)
C20H23NO2

>  <MolWeight> (2,924)
309.40212

>  <PCAT_CMPD_ID> (2,924)
WAY-324973

>  <CNC_ID> (2,924)
359411702

>  <transfer_container_id> (2,924)
PTN000000073

>  <COMPOUND_NUMBER> (2,924)
WAY-324973

>  <BAR_CODE_NO> (2,924)
299974

>  <LOCATION_CODE> (2,924)
PTNCS

>  <AMOUNT_CURRENT> (2,924)
32.5

$$$$
WAY-325055
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5333   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.9542    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
   -1.0333    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2875   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3875    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.4208    0.0000 C   0  0  0  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  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  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 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20 13  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 10  6  1  0  0  0  0
 15 11  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,925)
2750

>  <Formula> (2,925)
C15H14BrN5O

>  <MolWeight> (2,925)
360.20856

>  <PCAT_CMPD_ID> (2,925)
WAY-325055

>  <CNC_ID> (2,925)
359411780

>  <transfer_container_id> (2,925)
PTN000000073

>  <COMPOUND_NUMBER> (2,925)
WAY-325055

>  <BAR_CODE_NO> (2,925)
300056

>  <LOCATION_CODE> (2,925)
PTNCS

>  <AMOUNT_CURRENT> (2,925)
32.5

$$$$
WAY-325091
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.1792   -0.2000    0.0000 N   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
    0.7292    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -1.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5458   -2.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    1.3833    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
    0.4792   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -2.9375    0.0000 C   0  0  0  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
    0.3042    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    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  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  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  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  2  0  0  0  0
 16  8  2  0  0  0  0
 17 14  2  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 15  1  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
  6  7  2  0  0  0  0
 24 23  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,926)
2751

>  <Formula> (2,926)
C17H16N4O3

>  <MolWeight> (2,926)
324.33394

>  <PCAT_CMPD_ID> (2,926)
WAY-325091

>  <CNC_ID> (2,926)
359411813

>  <transfer_container_id> (2,926)
PTN000000073

>  <COMPOUND_NUMBER> (2,926)
WAY-325091

>  <BAR_CODE_NO> (2,926)
300092

>  <LOCATION_CODE> (2,926)
PTNCS

>  <AMOUNT_CURRENT> (2,926)
32.5

$$$$
WAY-325131
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.6042   -4.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -4.0667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375   -4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -3.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7750   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -2.7625    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  6  2  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  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  1  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 18  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  2  0  0  0  0
 13 11  1  0  0  0  0
 17 16  2  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,927)
2752

>  <Formula> (2,927)
C15H11NOS

>  <MolWeight> (2,927)
253.31894

>  <PCAT_CMPD_ID> (2,927)
WAY-325131

>  <CNC_ID> (2,927)
359411853

>  <transfer_container_id> (2,927)
PTN000000073

>  <COMPOUND_NUMBER> (2,927)
WAY-325131

>  <BAR_CODE_NO> (2,927)
300132

>  <LOCATION_CODE> (2,927)
PTNCS

>  <AMOUNT_CURRENT> (2,927)
32.5

$$$$
WAY-325177
csChFnd80/11182011152D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.6542   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.5667    0.0000 N   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
   -1.9708   -0.1875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3125   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958   -1.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -1.7042    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  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9 10  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  5  2  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 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  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
  2  3  2  0  0  0  0
 14 24  1  0  0  0  0
 11  9  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,928)
2753

>  <Formula> (2,928)
C18H18FN3O2

>  <MolWeight> (2,928)
327.3528232

>  <PCAT_CMPD_ID> (2,928)
WAY-325177

>  <CNC_ID> (2,928)
359411898

>  <transfer_container_id> (2,928)
PTN000000073

>  <COMPOUND_NUMBER> (2,928)
WAY-325177

>  <BAR_CODE_NO> (2,928)
300178

>  <LOCATION_CODE> (2,928)
PTNCS

>  <AMOUNT_CURRENT> (2,928)
32.5

$$$$
WAY-325213
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.4917    2.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    1.3458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1917    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7167    3.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -0.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0500    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7500    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0292    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3167    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917    2.6000    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  2  0  0  0  0
  7  1  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  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  5  1  0  0  0  0
 14  5  2  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 26  2  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 19  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 12  1  0  0  0  0
  4  8  1  0  0  0  0
 15 11  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,929)
2754

>  <Formula> (2,929)
C21H25FN2O4S

>  <MolWeight> (2,929)
420.4976032

>  <PCAT_CMPD_ID> (2,929)
WAY-325213

>  <CNC_ID> (2,929)
359411934

>  <transfer_container_id> (2,929)
PTN000000073

>  <COMPOUND_NUMBER> (2,929)
WAY-325213

>  <BAR_CODE_NO> (2,929)
300214

>  <LOCATION_CODE> (2,929)
PTNCS

>  <AMOUNT_CURRENT> (2,929)
32.5

$$$$
WAY-325214
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.5792    3.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    1.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    2.2125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2792    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792    3.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042    4.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667    2.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792    2.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5792    3.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    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  4  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  9  1  0  0  0  0
  9  1  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  5  1  0  0  0  0
 14  5  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 13  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 18  2  0  0  0  0
 22 25  1  0  0  0  0
 23 19  2  0  0  0  0
 24 19  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 12  1  0  0  0  0
 29 22  1  0  0  0  0
  4  8  1  0  0  0  0
 15 11  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,930)
2755

>  <Formula> (2,930)
C22H28N2O4S

>  <MolWeight> (2,930)
416.53372

>  <PCAT_CMPD_ID> (2,930)
WAY-325214

>  <CNC_ID> (2,930)
359411935

>  <transfer_container_id> (2,930)
PTN000000073

>  <COMPOUND_NUMBER> (2,930)
WAY-325214

>  <BAR_CODE_NO> (2,930)
300215

>  <LOCATION_CODE> (2,930)
PTNCS

>  <AMOUNT_CURRENT> (2,930)
32.5

$$$$
WAY-325217
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.4792   -0.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292   -1.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3542   -0.9792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6792   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -2.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2875   -2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917    1.5333    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  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  6  1  0  0  0  0
 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  2  0  0  0  0
 14 20  2  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 15  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 16  1  0  0  0  0
 25 16  1  0  0  0  0
  5 10  1  0  0  0  0
 19 14  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,931)
2756

>  <Formula> (2,931)
C18H22N2O4S

>  <MolWeight> (2,931)
362.44328

>  <PCAT_CMPD_ID> (2,931)
WAY-325217

>  <CNC_ID> (2,931)
359411938

>  <transfer_container_id> (2,931)
PTN000000073

>  <COMPOUND_NUMBER> (2,931)
WAY-325217

>  <BAR_CODE_NO> (2,931)
300218

>  <LOCATION_CODE> (2,931)
PTNCS

>  <AMOUNT_CURRENT> (2,931)
32.5

$$$$
WAY-325230
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.2917   -0.1417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -1.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1250   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -2.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -3.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4292   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -1.0000    0.0000 Cl  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  1  0  0  0  0
  6  8  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  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 13  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  2  0  0  0  0
 15  7  1  0  0  0  0
 16  6  2  0  0  0  0
 17 16  1  0  0  0  0
 18  9  2  0  0  0  0
 19  9  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
  5 12  1  0  0  0  0
 15 17  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,932)
2757

>  <Formula> (2,932)
C16H16ClNO3S2

>  <MolWeight> (2,932)
369.88614

>  <PCAT_CMPD_ID> (2,932)
WAY-325230

>  <CNC_ID> (2,932)
359411951

>  <transfer_container_id> (2,932)
PTN000000073

>  <COMPOUND_NUMBER> (2,932)
WAY-325230

>  <BAR_CODE_NO> (2,932)
300231

>  <LOCATION_CODE> (2,932)
PTNCS

>  <AMOUNT_CURRENT> (2,932)
32.5

$$$$
WAY-325239
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.1042   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -2.4375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9292   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250   -2.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -1.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -2.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8542   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6042   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3625   -1.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0667   -5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4917   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417   -5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -2.6542    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  2  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  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14  9  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  2  0  0  0  0
 19 16  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 10  1  0  0  0  0
 26 11  1  0  0  0  0
 27 20  1  0  0  0  0
 28 27  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  7 11  1  0  0  0  0
 26 30  2  0  0  0  0
 17  2  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,933)
2758

>  <Formula> (2,933)
C23H23NO5S

>  <MolWeight> (2,933)
425.49742

>  <PCAT_CMPD_ID> (2,933)
WAY-325239

>  <CNC_ID> (2,933)
359411960

>  <transfer_container_id> (2,933)
PTN000000073

>  <COMPOUND_NUMBER> (2,933)
WAY-325239

>  <BAR_CODE_NO> (2,933)
300240

>  <LOCATION_CODE> (2,933)
PTNCS

>  <AMOUNT_CURRENT> (2,933)
32.5

$$$$
WAY-325259
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6375    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    6.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.1917    0.0000 S   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
    7.2750    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    4.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
   12.1250    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1250    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  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 14  1  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  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  8  2  0  0  0  0
 18 15  2  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 19  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
  5  4  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,934)
2759

>  <Formula> (2,934)
C18H16N4O2S

>  <MolWeight> (2,934)
352.41024

>  <PCAT_CMPD_ID> (2,934)
WAY-325259

>  <CNC_ID> (2,934)
359411980

>  <transfer_container_id> (2,934)
PTN000000073

>  <COMPOUND_NUMBER> (2,934)
WAY-325259

>  <BAR_CODE_NO> (2,934)
300260

>  <LOCATION_CODE> (2,934)
PTNCS

>  <AMOUNT_CURRENT> (2,934)
32.5

$$$$
WAY-325260
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0500    4.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    7.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    6.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500    3.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500    6.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500    3.5958    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
    4.1500    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042    3.5958    0.0000 C   0  0  0  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  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  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  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  7  1  0  0  0  0
 19 18  2  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 16  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  6  1  0  0  0  0
 17 20  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,935)
2760

>  <Formula> (2,935)
C19H18N4O2S

>  <MolWeight> (2,935)
366.43682

>  <PCAT_CMPD_ID> (2,935)
WAY-325260

>  <CNC_ID> (2,935)
359411981

>  <transfer_container_id> (2,935)
PTN000000073

>  <COMPOUND_NUMBER> (2,935)
WAY-325260

>  <BAR_CODE_NO> (2,935)
300261

>  <LOCATION_CODE> (2,935)
PTNCS

>  <AMOUNT_CURRENT> (2,935)
32.5

$$$$
WAY-325286
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.0917    2.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    3.9083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5167    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125    4.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667    5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8417    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8125    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  3  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  3  1  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  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 20 11  2  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
  6  9  1  0  0  0  0
 20 16  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,936)
2761

>  <Formula> (2,936)
C19H18N2O3

>  <MolWeight> (2,936)
322.35782

>  <PCAT_CMPD_ID> (2,936)
WAY-325286

>  <CNC_ID> (2,936)
359412007

>  <transfer_container_id> (2,936)
PTN000000073

>  <COMPOUND_NUMBER> (2,936)
WAY-325286

>  <BAR_CODE_NO> (2,936)
300287

>  <LOCATION_CODE> (2,936)
PTNCS

>  <AMOUNT_CURRENT> (2,936)
32.5

$$$$
WAY-325287
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.8792    2.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    3.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3042    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542    4.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.4750    2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667    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  4  3  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  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  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 16  1  0  0  0  0
 23 22  1  0  0  0  0
  6  9  1  0  0  0  0
 20 16  2  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,937)
2762

>  <Formula> (2,937)
C18H15BrN2O2

>  <MolWeight> (2,937)
371.2279

>  <PCAT_CMPD_ID> (2,937)
WAY-325287

>  <CNC_ID> (2,937)
359412008

>  <transfer_container_id> (2,937)
PTN000000073

>  <COMPOUND_NUMBER> (2,937)
WAY-325287

>  <BAR_CODE_NO> (2,937)
300288

>  <LOCATION_CODE> (2,937)
PTNCS

>  <AMOUNT_CURRENT> (2,937)
32.5

$$$$
WAY-325296
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.1375   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -3.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0625   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2917   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   -4.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375   -5.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0417   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1250   -5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1125   -4.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500   -5.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3375   -2.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750   -0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -5.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -1.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9500   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6625   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2875   -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  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 21  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  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  2  0  0  0  0
 19 14  3  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22  9  2  0  0  0  0
 23 13  2  0  0  0  0
 24 16  1  0  0  0  0
 25 13  1  0  0  0  0
 26  5  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
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,938)
2763

>  <Formula> (2,938)
C17H13ClN4O4S

>  <MolWeight> (2,938)
404.82752

>  <PCAT_CMPD_ID> (2,938)
WAY-325296

>  <CNC_ID> (2,938)
359412017

>  <transfer_container_id> (2,938)
PTN000000073

>  <COMPOUND_NUMBER> (2,938)
WAY-325296

>  <BAR_CODE_NO> (2,938)
300297

>  <LOCATION_CODE> (2,938)
PTNCS

>  <AMOUNT_CURRENT> (2,938)
32.5

$$$$
WAY-325297
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.7625   -8.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   -7.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667   -8.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -7.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -5.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -6.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375  -11.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -9.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542   -4.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -3.9125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   -2.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -3.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6125   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4750   -1.5250    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
   16.0000   -6.3625    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  9  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  7  1  0  0  0  0
 10 16  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  4  2  0  0  0  0
 15 10  2  0  0  0  0
 16  1  1  0  0  0  0
 17  3  2  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21  5  2  0  0  0  0
 22  9  2  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
 14 11  1  0  0  0  0
  2 13  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,939)
2764

>  <Formula> (2,939)
C17H14ClN3O4

>  <MolWeight> (2,939)
359.76376

>  <PCAT_CMPD_ID> (2,939)
WAY-325297

>  <CNC_ID> (2,939)
359412018

>  <transfer_container_id> (2,939)
PTN000000073

>  <COMPOUND_NUMBER> (2,939)
WAY-325297

>  <BAR_CODE_NO> (2,939)
300298

>  <LOCATION_CODE> (2,939)
PTNCS

>  <AMOUNT_CURRENT> (2,939)
32.5

$$$$
WAY-325303
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.9413    0.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3623    0.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523   -0.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0247    0.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -0.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2563    0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307    0.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7987   -0.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8383    0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673   -0.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917    0.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977   -0.0812    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2323   -0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    0.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503   -1.1222    0.0000 C   0  0  0  0  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
  1  6  2  0  0  0  0
  7  4  1  0  0  0  0
  7  8  2  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 16  1  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 13  2  0  0  0  0
 17 15  1  0  0  0  0
  9  5  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,940)
2765

>  <Formula> (2,940)
C11H11ClN4O

>  <MolWeight> (2,940)
250.68424

>  <PCAT_CMPD_ID> (2,940)
WAY-325303

>  <CNC_ID> (2,940)
359412024

>  <transfer_container_id> (2,940)
PTN000000073

>  <COMPOUND_NUMBER> (2,940)
WAY-325303

>  <BAR_CODE_NO> (2,940)
300304

>  <LOCATION_CODE> (2,940)
PTNCS

>  <AMOUNT_CURRENT> (2,940)
30.4

$$$$
WAY-325320
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.3917  -12.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5292  -13.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500  -13.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500  -12.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417  -10.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750  -14.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -3.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8750   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -5.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8375   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250  -13.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125   -9.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542  -12.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -4.1250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.9417  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917  -15.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  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 19  1  0  0  0  0
  8  5  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  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 17  2  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20  8  2  0  0  0  0
 21 17  2  0  0  0  0
 22 14  1  0  0  0  0
 23  6  1  0  0  0  0
 24 17  1  0  0  0  0
  2  6  2  0  0  0  0
 13 18  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,941)
2766

>  <Formula> (2,941)
C15H13BrN4O3S

>  <MolWeight> (2,941)
409.25772

>  <PCAT_CMPD_ID> (2,941)
WAY-325320

>  <CNC_ID> (2,941)
359412041

>  <transfer_container_id> (2,941)
PTN000000073

>  <COMPOUND_NUMBER> (2,941)
WAY-325320

>  <BAR_CODE_NO> (2,941)
300321

>  <LOCATION_CODE> (2,941)
PTNCS

>  <AMOUNT_CURRENT> (2,941)
32.5

$$$$
WAY-325324
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.5500   -3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875   -3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -5.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6875   -4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -6.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    0.6708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -3.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.3625    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  3  2  0  0  0  0
  5  2  2  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  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11 12  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  4  1  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
 18 16  1  0  0  0  0
 19  5  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 20  1  0  0  0  0
  4  5  1  0  0  0  0
  6 11  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,942)
2767

>  <Formula> (2,942)
C19H20ClN3O2

>  <MolWeight> (2,942)
357.834

>  <PCAT_CMPD_ID> (2,942)
WAY-325324

>  <CNC_ID> (2,942)
359412045

>  <transfer_container_id> (2,942)
PTN000000073

>  <COMPOUND_NUMBER> (2,942)
WAY-325324

>  <BAR_CODE_NO> (2,942)
300325

>  <LOCATION_CODE> (2,942)
PTNCS

>  <AMOUNT_CURRENT> (2,942)
32.5

$$$$
WAY-325329
csChFnd80/11182011152D

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.0875  -10.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375  -12.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375  -10.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125  -13.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6042   -6.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375  -13.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625   -4.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -5.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -2.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -9.5875    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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  3  2  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  2  2  0  0  0  0
 10  4  1  0  0  0  0
 11 12  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  3  1  0  0  0  0
 16  9  1  0  0  0  0
  5  9  1  0  0  0  0
 11  4  2  0  0  0  0
M  END
>  <Mol_ID> (2,943)
2768

>  <Formula> (2,943)
C11H12N2O3

>  <MolWeight> (2,943)
220.22458

>  <PCAT_CMPD_ID> (2,943)
WAY-325329

>  <CNC_ID> (2,943)
359412050

>  <transfer_container_id> (2,943)
PTN000000073

>  <COMPOUND_NUMBER> (2,943)
WAY-325329

>  <BAR_CODE_NO> (2,943)
300330

>  <LOCATION_CODE> (2,943)
PTNCS

>  <AMOUNT_CURRENT> (2,943)
32.5

$$$$
WAY-325330
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.5307   -0.6914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1247   -0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577   -0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2797    0.3526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307   -1.2494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337   -0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -0.2864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2513    0.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0247   -1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937    0.3406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923    0.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0607   -0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3303    0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553    0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393   -0.3944    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903    1.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8343    0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8343    1.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3123    1.4116    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
  2  6  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 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  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
 15 19  2  0  0  0  0
 20 16  2  0  0  0  0
 22 21  2  0  0  0  0
 22 19  1  0  0  0  0
 11 14  2  0  0  0  0
  9 10  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,944)
2769

>  <Formula> (2,944)
C15H11BrN2O3S

>  <MolWeight> (2,944)
379.22844

>  <PCAT_CMPD_ID> (2,944)
WAY-325330

>  <CNC_ID> (2,944)
359412051

>  <transfer_container_id> (2,944)
PTN000000073

>  <COMPOUND_NUMBER> (2,944)
WAY-325330

>  <BAR_CODE_NO> (2,944)
300331

>  <LOCATION_CODE> (2,944)
PTNCS

>  <AMOUNT_CURRENT> (2,944)
32.5

$$$$
WAY-325334
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.5621    0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276   -0.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517   -0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.4204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -1.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -1.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    0.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655    0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3103   -0.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690    0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828    1.6279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1483   -0.5997    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6069    2.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3069    1.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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
  8 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
 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
  5  6  2  0  0  0  0
 16 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,945)
2770

>  <Formula> (2,945)
C18H15ClN2O3

>  <MolWeight> (2,945)
342.7763

>  <PCAT_CMPD_ID> (2,945)
WAY-325334

>  <CNC_ID> (2,945)
359412055

>  <transfer_container_id> (2,945)
PTN000000073

>  <COMPOUND_NUMBER> (2,945)
WAY-325334

>  <BAR_CODE_NO> (2,945)
300335

>  <LOCATION_CODE> (2,945)
PTNCS

>  <AMOUNT_CURRENT> (2,945)
32.5

$$$$
WAY-325350
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7625   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -2.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7000   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7000   -5.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -2.0875    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
    5.7000   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -5.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8333   -1.5417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500   -8.4292    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  1  2  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 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12 14  1  0  0  0  0
 13  2  2  0  0  0  0
 14 17  1  0  0  0  0
 15 12  2  0  0  0  0
 16 20  2  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  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  6  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 18  1  0  0  0  0
 10  8  2  0  0  0  0
 18 24  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,946)
2771

>  <Formula> (2,946)
C18H14Cl2N2O3

>  <MolWeight> (2,946)
377.22136

>  <PCAT_CMPD_ID> (2,946)
WAY-325350

>  <CNC_ID> (2,946)
359412071

>  <transfer_container_id> (2,946)
PTN000000073

>  <COMPOUND_NUMBER> (2,946)
WAY-325350

>  <BAR_CODE_NO> (2,946)
300351

>  <LOCATION_CODE> (2,946)
PTNCS

>  <AMOUNT_CURRENT> (2,946)
32.5

$$$$
WAY-325385
csChFnd80/11182011152D

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.2375   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875   -2.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6500   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -4.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667   -3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7375   -7.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542   -6.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3542   -7.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -6.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5250    0.6333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375   -7.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2750    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -4.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -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  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  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 21  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19  4  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 13  1  0  0  0  0
 23  3  1  0  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26  5  1  0  0  0  0
 27 15  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
  5  4  1  0  0  0  0
 12  6  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,947)
2772

>  <Formula> (2,947)
C21H22ClN3O4

>  <MolWeight> (2,947)
415.87008

>  <PCAT_CMPD_ID> (2,947)
WAY-325385

>  <CNC_ID> (2,947)
359412106

>  <transfer_container_id> (2,947)
PTN000000073

>  <COMPOUND_NUMBER> (2,947)
WAY-325385

>  <BAR_CODE_NO> (2,947)
300386

>  <LOCATION_CODE> (2,947)
PTNCS

>  <AMOUNT_CURRENT> (2,947)
32.5

$$$$
WAY-325395
csChFnd80/11182011152D

 18 19  0  0  0  0  0  0  0  0999 V2000
   12.1125   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2500   -2.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -1.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1042    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7667   -4.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5375   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -9.4875    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  1  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  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10 13  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  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 16  1  0  0  0  0
  6  5  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,948)
2773

>  <Formula> (2,948)
C14H16N2O2

>  <MolWeight> (2,948)
244.28904

>  <PCAT_CMPD_ID> (2,948)
WAY-325395

>  <CNC_ID> (2,948)
359412116

>  <transfer_container_id> (2,948)
PTN000000073

>  <COMPOUND_NUMBER> (2,948)
WAY-325395

>  <BAR_CODE_NO> (2,948)
300396

>  <LOCATION_CODE> (2,948)
PTNCS

>  <AMOUNT_CURRENT> (2,948)
32.5

$$$$
WAY-325408
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.9500  -11.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500  -13.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6250  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750  -11.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875  -13.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -4.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.4625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -7.6250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    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 10  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  5  2  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10 15  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  2  0  0  0  0
 13  1  1  0  0  0  0
 14 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  2  0  0  0  0
 23 17  1  0  0  0  0
 24 11  1  0  0  0  0
  8  7  1  0  0  0  0
 14 10  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,949)
2774

>  <Formula> (2,949)
C18H15Cl2N3O

>  <MolWeight> (2,949)
360.2372

>  <PCAT_CMPD_ID> (2,949)
WAY-325408

>  <CNC_ID> (2,949)
359412129

>  <transfer_container_id> (2,949)
PTN000000073

>  <COMPOUND_NUMBER> (2,949)
WAY-325408

>  <BAR_CODE_NO> (2,949)
300409

>  <LOCATION_CODE> (2,949)
PTNCS

>  <AMOUNT_CURRENT> (2,949)
32.5

$$$$
WAY-325424
csChFnd80/11182011152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.6384    5.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039    4.7234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    5.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2029    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715    5.5465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2586    3.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0099    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2199    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1380    0.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5095    1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8828    3.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8484    2.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4686    0.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409    5.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0496    0.0000 C   0  0  0  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  3  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 10  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  5  1  0  0  0  0
 17 16  1  0  0  0  0
  6  5  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,950)
2775

>  <Formula> (2,950)
C12H11ClN2O2

>  <MolWeight> (2,950)
250.68094

>  <PCAT_CMPD_ID> (2,950)
WAY-325424

>  <CNC_ID> (2,950)
359412145

>  <transfer_container_id> (2,950)
PTN000000073

>  <COMPOUND_NUMBER> (2,950)
WAY-325424

>  <BAR_CODE_NO> (2,950)
300425

>  <LOCATION_CODE> (2,950)
PTNCS

>  <AMOUNT_CURRENT> (2,950)
32.5

$$$$
WAY-325464
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.8750  -11.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375  -13.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125  -11.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1625  -11.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -6.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3375  -13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6875  -14.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250  -11.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9875   -1.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4542  -15.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875  -15.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    1.1125    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  3  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10 15  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  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  2  1  0  0  0  0
 18  3  2  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 22  6  1  0  0  0  0
  9 23  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,951)
2776

>  <Formula> (2,951)
C20H23NO4

>  <MolWeight> (2,951)
341.40092

>  <PCAT_CMPD_ID> (2,951)
WAY-325464

>  <CNC_ID> (2,951)
359412185

>  <transfer_container_id> (2,951)
PTN000000073

>  <COMPOUND_NUMBER> (2,951)
WAY-325464

>  <BAR_CODE_NO> (2,951)
300465

>  <LOCATION_CODE> (2,951)
PTNCS

>  <AMOUNT_CURRENT> (2,951)
32.5

$$$$
WAY-325493
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.7292   -7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -9.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9748   -6.6906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417   -9.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375   -9.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -2.3500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167  -11.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250  -12.0500    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  3  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  2  1  0  0  0  0
  9  7  3  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  3  1  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  8  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  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
  5  6  2  0  0  0  0
 14 21  2  0  0  0  0
 20 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,952)
2777

>  <Formula> (2,952)
C17H11BrN4

>  <MolWeight> (2,952)
351.20004

>  <PCAT_CMPD_ID> (2,952)
WAY-325493

>  <CNC_ID> (2,952)
359412214

>  <transfer_container_id> (2,952)
PTN000000073

>  <COMPOUND_NUMBER> (2,952)
WAY-325493

>  <BAR_CODE_NO> (2,952)
300494

>  <LOCATION_CODE> (2,952)
PTNCS

>  <AMOUNT_CURRENT> (2,952)
32.5

$$$$
WAY-325494
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.7292   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167  -10.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667   -7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   -9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8875   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9771   -7.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167   -6.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6542  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417  -10.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0375  -10.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   -5.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -3.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -3.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1625   -1.6750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -11.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167  -11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  7  3  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11 18  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  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 10  2  0  0  0  0
 19 15  1  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
  5  3  1  0  0  0  0
 15 17  1  0  0  0  0
 11 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,953)
2778

>  <Formula> (2,953)
C17H11FN4

>  <MolWeight> (2,953)
290.2944432

>  <PCAT_CMPD_ID> (2,953)
WAY-325494

>  <CNC_ID> (2,953)
359412215

>  <transfer_container_id> (2,953)
PTN000000073

>  <COMPOUND_NUMBER> (2,953)
WAY-325494

>  <BAR_CODE_NO> (2,953)
300495

>  <LOCATION_CODE> (2,953)
PTNCS

>  <AMOUNT_CURRENT> (2,953)
32.5

$$$$
WAY-325502
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.8125   -4.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8125   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -3.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -4.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3917   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0917   -2.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -2.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -3.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042   -4.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5667   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250   -6.7042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -4.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -5.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -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  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  5  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  4  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 11  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  3  1  0  0  0  0
 15 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,954)
2779

>  <Formula> (2,954)
C16H14FN3O2

>  <MolWeight> (2,954)
299.2996632

>  <PCAT_CMPD_ID> (2,954)
WAY-325502

>  <CNC_ID> (2,954)
359412223

>  <transfer_container_id> (2,954)
PTN000000073

>  <COMPOUND_NUMBER> (2,954)
WAY-325502

>  <BAR_CODE_NO> (2,954)
300503

>  <LOCATION_CODE> (2,954)
PTNCS

>  <AMOUNT_CURRENT> (2,954)
32.5

$$$$
WAY-606098
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9958   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.9208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875   -0.1542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -1.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    0.9500    0.0000 C   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
   -2.3083   -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  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  1  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  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 12  1  0  0  0  0
 18 22  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21 11  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
  5  4  1  0  0  0  0
 14 17  2  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,955)
2780

>  <Formula> (2,955)
C16H18N2O4S2

>  <MolWeight> (2,955)
366.45512

>  <PCAT_CMPD_ID> (2,955)
WAY-606098

>  <CNC_ID> (2,955)
359414513

>  <transfer_container_id> (2,955)
PTN000000073

>  <COMPOUND_NUMBER> (2,955)
WAY-606098

>  <BAR_CODE_NO> (2,955)
90439716

>  <LOCATION_CODE> (2,955)
PTNCS

>  <AMOUNT_CURRENT> (2,955)
32.5

$$$$
WAY-606130
csChFnd80/11182011152D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.5048   -0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327   -0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7535    0.5340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910    0.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340   -0.9035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9090    0.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035    0.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410   -0.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465    0.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1715   -0.1535    0.0000 C   0  0  0  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  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  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
 12 11  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,956)
2781

>  <Formula> (2,956)
C8H11NO3

>  <MolWeight> (2,956)
169.17784

>  <PCAT_CMPD_ID> (2,956)
WAY-606130

>  <CNC_ID> (2,956)
359414545

>  <transfer_container_id> (2,956)
PTN000000073

>  <COMPOUND_NUMBER> (2,956)
WAY-606130

>  <BAR_CODE_NO> (2,956)
90439748

>  <LOCATION_CODE> (2,956)
PTNCS

>  <AMOUNT_CURRENT> (2,956)
32.7

$$$$
WAY-606149
csChFnd80/11182011152D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.3542    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -1.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.1333    0.0000 C   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
   -0.8833    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    2.1833    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  2  2  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 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  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  4  1  0  0  0  0
 16  3  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19 10  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 21  1  0  0  0  0
 24 13  2  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 14  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 26  2  0  0  0  0
 31 27  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
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
 23 22  2  0  0  0  0
 34 30  1  0  0  0  0
 33 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,957)
2782

>  <Formula> (2,957)
C28H28N6

>  <MolWeight> (2,957)
448.56212

>  <PCAT_CMPD_ID> (2,957)
WAY-606149

>  <CNC_ID> (2,957)
359414564

>  <transfer_container_id> (2,957)
PTN000000073

>  <COMPOUND_NUMBER> (2,957)
WAY-606149

>  <BAR_CODE_NO> (2,957)
90439767

>  <LOCATION_CODE> (2,957)
PTNCS

>  <AMOUNT_CURRENT> (2,957)
32.3

$$$$
WAY-606252
csChFnd80/11182011152D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9167    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -2.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.6375    0.0000 S   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
   -0.5083    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -3.1125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -5.5875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    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  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  4  2  0  0  0  0
  7 11  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 19  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14  1  1  0  0  0  0
 15  3  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18  9  2  0  0  0  0
 19 13  1  0  0  0  0
 20 10  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 15  2  0  0  0  0
 25 15  1  0  0  0  0
 26 23  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 28  1  0  0  0  0
 31 26  2  0  0  0  0
  8  6  1  0  0  0  0
 31 27  1  0  0  0  0
 30 29  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,958)
2783

>  <Formula> (2,958)
C22H15Cl2N5OS

>  <MolWeight> (2,958)
468.3584

>  <PCAT_CMPD_ID> (2,958)
WAY-606252

>  <CNC_ID> (2,958)
359414673

>  <transfer_container_id> (2,958)
PTN000000073

>  <COMPOUND_NUMBER> (2,958)
WAY-606252

>  <BAR_CODE_NO> (2,958)
90439880

>  <LOCATION_CODE> (2,958)
PTNCS

>  <AMOUNT_CURRENT> (2,958)
32.5

$$$$
WAY-606298
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.1625   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    0.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.0625    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  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7 17  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  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  1  0  0  0  0
 14  1  2  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17 16  2  0  0  0  0
 18 13  1  0  0  0  0
 19  3  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
  7  5  2  0  0  0  0
 11 10  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,959)
2784

>  <Formula> (2,959)
C18H17NO5

>  <MolWeight> (2,959)
327.33128

>  <PCAT_CMPD_ID> (2,959)
WAY-606298

>  <CNC_ID> (2,959)
359414719

>  <transfer_container_id> (2,959)
PTN000000073

>  <COMPOUND_NUMBER> (2,959)
WAY-606298

>  <BAR_CODE_NO> (2,959)
90439927

>  <LOCATION_CODE> (2,959)
PTNCS

>  <AMOUNT_CURRENT> (2,959)
32.3

$$$$
WAY-606333
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.2750    2.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -4.4750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9125   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.9375    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  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  1  1  0  0  0  0
 18  1  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 19 20  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,960)
2785

>  <Formula> (2,960)
C14H16ClNO4

>  <MolWeight> (2,960)
297.73414

>  <PCAT_CMPD_ID> (2,960)
WAY-606333

>  <CNC_ID> (2,960)
359414754

>  <transfer_container_id> (2,960)
PTN000000073

>  <COMPOUND_NUMBER> (2,960)
WAY-606333

>  <BAR_CODE_NO> (2,960)
90439962

>  <LOCATION_CODE> (2,960)
PTNCS

>  <AMOUNT_CURRENT> (2,960)
32.8

$$$$
WAY-606407
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4125   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -1.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    1.9583    0.0000 N   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
   -1.3000   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750   -0.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3917   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0208    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -1.7250    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  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 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12  6  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  2  0  0  0  0
 17  6  1  0  0  0  0
 18 10  2  0  0  0  0
 19  5  1  0  0  0  0
 20  9  1  0  0  0  0
 21  9  2  0  0  0  0
 22 10  1  0  0  0  0
 23 26  2  0  0  0  0
 24 17  2  0  0  0  0
 25 15  2  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 28 19  2  0  0  0  0
 29 11  1  0  0  0  0
 30 25  1  0  0  0  0
  4  5  2  0  0  0  0
 23 27  1  0  0  0  0
 28 25  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,961)
2786

>  <Formula> (2,961)
C22H17N3O4S

>  <MolWeight> (2,961)
419.45308

>  <PCAT_CMPD_ID> (2,961)
WAY-606407

>  <CNC_ID> (2,961)
359414828

>  <transfer_container_id> (2,961)
PTN000000073

>  <COMPOUND_NUMBER> (2,961)
WAY-606407

>  <BAR_CODE_NO> (2,961)
90440039

>  <LOCATION_CODE> (2,961)
PTNCS

>  <AMOUNT_CURRENT> (2,961)
32.2

$$$$
WAY-606477-A
csChFnd80/11182011152D

 27 31  0  0  0  0  0  0  0  0999 V2000
    7.9167    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500    1.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292    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  3  2  0  0  0  0
 14 11  1  0  0  0  0
 15 18  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  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  5  1  0  0  0  0
 25  7  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
  5  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> (2,962)
2787

>  <Formula> (2,962)
C21H24N2O3S

>  <MolWeight> (2,962)
384.49186

>  <PCAT_CMPD_ID> (2,962)
WAY-606477-A

>  <CNC_ID> (2,962)
359414898

>  <transfer_container_id> (2,962)
PTN000000073

>  <COMPOUND_NUMBER> (2,962)
WAY-606477-A

>  <BAR_CODE_NO> (2,962)
90440110

>  <LOCATION_CODE> (2,962)
PTNCS

>  <AMOUNT_CURRENT> (2,962)
32.6

$$$$
WAY-606478-A
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.3417   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -0.3167    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
    3.0750   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    2.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -0.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417    0.4458    0.0000 C   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   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542    2.5875    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
    1.6500   -0.5667    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  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  6  2  0  0  0  0
  9 19  1  0  0  0  0
 10  6  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 17  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  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
  4  5  2  0  0  0  0
 20 21  1  0  0  0  0
 18  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,963)
2788

>  <Formula> (2,963)
C16H24N2O2S

>  <MolWeight> (2,963)
308.43896

>  <PCAT_CMPD_ID> (2,963)
WAY-606478-A

>  <CNC_ID> (2,963)
359414899

>  <transfer_container_id> (2,963)
PTN000000073

>  <COMPOUND_NUMBER> (2,963)
WAY-606478-A

>  <BAR_CODE_NO> (2,963)
90440111

>  <LOCATION_CODE> (2,963)
PTNCS

>  <AMOUNT_CURRENT> (2,963)
32.7

$$$$
WAY-606496
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.1417   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.6750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6833   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -3.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -4.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    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  1  1  0  0  0  0
  6  4  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  7  2  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  3  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  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 23  2  0  0  0  0
 21 17  1  0  0  0  0
 22  9  2  0  0  0  0
 23 10  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 25  1  0  0  0  0
 28 24  2  0  0  0  0
 29 27  2  0  0  0  0
  3  6  1  0  0  0  0
 17 18  2  0  0  0  0
 20 22  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,964)
2789

>  <Formula> (2,964)
C22H20N4O2S

>  <MolWeight> (2,964)
404.4848

>  <PCAT_CMPD_ID> (2,964)
WAY-606496

>  <CNC_ID> (2,964)
359414917

>  <transfer_container_id> (2,964)
PTN000000073

>  <COMPOUND_NUMBER> (2,964)
WAY-606496

>  <BAR_CODE_NO> (2,964)
90440129

>  <LOCATION_CODE> (2,964)
PTNCS

>  <AMOUNT_CURRENT> (2,964)
32

$$$$
WAY-606526
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.8375   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    2.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    2.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -3.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333    3.2375    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
    1.6875   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    4.3125    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
  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  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  2  0  0  0  0
  9 16  1  0  0  0  0
 10 21  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15 18  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  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 14  1  0  0  0  0
 22 13  1  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
 17 15  1  0  0  0  0
 10 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,965)
2790

>  <Formula> (2,965)
C17H24N2O4S

>  <MolWeight> (2,965)
352.44846

>  <PCAT_CMPD_ID> (2,965)
WAY-606526

>  <CNC_ID> (2,965)
359414947

>  <transfer_container_id> (2,965)
PTN000000073

>  <COMPOUND_NUMBER> (2,965)
WAY-606526

>  <BAR_CODE_NO> (2,965)
90440161

>  <LOCATION_CODE> (2,965)
PTNCS

>  <AMOUNT_CURRENT> (2,965)
32.2

$$$$
WAY-606541
csChFnd80/11182011152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    0.5542    0.5208    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
    1.3417    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    0.1083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -0.7167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3417   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.5208    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
    1.0417    2.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5875   -1.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1583   -3.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8625    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    3.1250    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  3  1  0  0  0  0
  5  7  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  2  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
 17  8  1  0  0  0  0
 18 25  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  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 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
 28 20  2  0  0  0  0
 29 28  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
 10 14  1  0  0  0  0
 29 23  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,966)
2791

>  <Formula> (2,966)
C23H23N5O

>  <MolWeight> (2,966)
385.46162

>  <PCAT_CMPD_ID> (2,966)
WAY-606541

>  <CNC_ID> (2,966)
359414962

>  <transfer_container_id> (2,966)
PTN000000073

>  <COMPOUND_NUMBER> (2,966)
WAY-606541

>  <BAR_CODE_NO> (2,966)
90440176

>  <LOCATION_CODE> (2,966)
PTNCS

>  <AMOUNT_CURRENT> (2,966)
32.4

$$$$
WAY-606601
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.2917   -0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750    0.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0083    1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2458    2.0708    0.0000 O   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
    0.8167   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    1.7958    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  8  2  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  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  3  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 10  2  0  0  0  0
 20 23  1  0  0  0  0
 21  9  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24 20  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  2  0  0  0  0
 27 24  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
  3  7  1  0  0  0  0
 20 22  2  0  0  0  0
 30 29  1  0  0  0  0
 16  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,967)
2792

>  <Formula> (2,967)
C22H20N4O3S

>  <MolWeight> (2,967)
420.4842

>  <PCAT_CMPD_ID> (2,967)
WAY-606601

>  <CNC_ID> (2,967)
359415022

>  <transfer_container_id> (2,967)
PTN000000073

>  <COMPOUND_NUMBER> (2,967)
WAY-606601

>  <BAR_CODE_NO> (2,967)
90440238

>  <LOCATION_CODE> (2,967)
PTNCS

>  <AMOUNT_CURRENT> (2,967)
32.6

$$$$
WAY-607124
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.8917   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    1.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -2.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -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  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  4  1  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
 10  6  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  1  0  0  0  0
 15 20  2  0  0  0  0
 16  3  2  0  0  0  0
 17  8  2  0  0  0  0
 18 22  2  0  0  0  0
 19 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 22 20  1  0  0  0  0
 23  5  1  0  0  0  0
  7  5  2  0  0  0  0
  9  6  2  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,968)
2793

>  <Formula> (2,968)
C16H15NO5S

>  <MolWeight> (2,968)
333.359

>  <PCAT_CMPD_ID> (2,968)
WAY-607124

>  <CNC_ID> (2,968)
359415545

>  <transfer_container_id> (2,968)
PTN000000073

>  <COMPOUND_NUMBER> (2,968)
WAY-607124

>  <BAR_CODE_NO> (2,968)
90440770

>  <LOCATION_CODE> (2,968)
PTNCS

>  <AMOUNT_CURRENT> (2,968)
32.6

$$$$
WAY-607134
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.4250   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208    1.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3625   -1.0792    0.0000 N   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
   -0.1333    1.7083    0.0000 C   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
   -0.6208    2.3833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    2.1208    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  1  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  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  2  0  0  0  0
 14  7  2  0  0  0  0
 15  3  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18 16  2  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 13  1  0  0  0  0
 23 16  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
  2  8  1  0  0  0  0
 18 17  1  0  0  0  0
 13  9  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,969)
2794

>  <Formula> (2,969)
C18H18N6O2

>  <MolWeight> (2,969)
350.37452

>  <PCAT_CMPD_ID> (2,969)
WAY-607134

>  <CNC_ID> (2,969)
359415555

>  <transfer_container_id> (2,969)
PTN000000073

>  <COMPOUND_NUMBER> (2,969)
WAY-607134

>  <BAR_CODE_NO> (2,969)
90440781

>  <LOCATION_CODE> (2,969)
PTNCS

>  <AMOUNT_CURRENT> (2,969)
32.2

$$$$
WAY-607151
csChFnd80/11182011152D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.2707   -0.6119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267   -0.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487   -0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2707   -1.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487   -1.5239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3223   -0.2909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267   -1.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353    1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8557   -1.3949    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8557   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3423    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3423    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857   -0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487    0.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1997    0.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    1.3831    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473    1.3951    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  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  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  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
  7 13  2  0  0  0  0
 14 10  2  0  0  0  0
 12 15  2  0  0  0  0
 16  3  2  0  0  0  0
 17  6  2  0  0  0  0
 20 18  2  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 11 15  1  0  0  0  0
  9  2  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,970)
2795

>  <Formula> (2,970)
C13H7Cl2N3O2S

>  <MolWeight> (2,970)
340.18458

>  <PCAT_CMPD_ID> (2,970)
WAY-607151

>  <CNC_ID> (2,970)
359415572

>  <transfer_container_id> (2,970)
PTN000000073

>  <COMPOUND_NUMBER> (2,970)
WAY-607151

>  <BAR_CODE_NO> (2,970)
90440798

>  <LOCATION_CODE> (2,970)
PTNCS

>  <AMOUNT_CURRENT> (2,970)
32

$$$$
WAY-607277
csChFnd80/11182011152D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.0375    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -0.2167    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
    1.7500    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -4.7625    0.0000 Cl  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
   -1.8208   -2.7000    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
   -1.8208   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    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  6  1  0  0  0  0
  4  2  1  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  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  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  1  1  0  0  0  0
 18  1  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 19  1  0  0  0  0
 22 21  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,971)
2796

>  <Formula> (2,971)
C16H20ClNO4

>  <MolWeight> (2,971)
325.7873

>  <PCAT_CMPD_ID> (2,971)
WAY-607277

>  <CNC_ID> (2,971)
359415698

>  <transfer_container_id> (2,971)
PTN000000073

>  <COMPOUND_NUMBER> (2,971)
WAY-607277

>  <BAR_CODE_NO> (2,971)
90440928

>  <LOCATION_CODE> (2,971)
PTNCS

>  <AMOUNT_CURRENT> (2,971)
32.8

$$$$
WAY-607411
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3667   -2.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -3.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    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  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6 12  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  7  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  9  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 19  2  0  0  0  0
 18 17  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
 14 16  1  0  0  0  0
 18  7  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,972)
2797

>  <Formula> (2,972)
C18H15N3O3

>  <MolWeight> (2,972)
321.33

>  <PCAT_CMPD_ID> (2,972)
WAY-607411

>  <CNC_ID> (2,972)
359415832

>  <transfer_container_id> (2,972)
PTN000000073

>  <COMPOUND_NUMBER> (2,972)
WAY-607411

>  <BAR_CODE_NO> (2,972)
90441066

>  <LOCATION_CODE> (2,972)
PTNCS

>  <AMOUNT_CURRENT> (2,972)
32.4

$$$$
WAY-607458
csChFnd80/11182011152D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.4833    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -0.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    3.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    2.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4375    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.1292    0.0000 C   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
   -1.7958    3.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -4.5000    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  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  2  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  3  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  8  1  0  0  0  0
 16  2  1  0  0  0  0
 17 19  1  0  0  0  0
 18  3  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
 11 10  2  0  0  0  0
 17  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,973)
2798

>  <Formula> (2,973)
C14H21N3O3S

>  <MolWeight> (2,973)
311.39984

>  <PCAT_CMPD_ID> (2,973)
WAY-607458

>  <CNC_ID> (2,973)
359415879

>  <transfer_container_id> (2,973)
PTN000000073

>  <COMPOUND_NUMBER> (2,973)
WAY-607458

>  <BAR_CODE_NO> (2,973)
90441114

>  <LOCATION_CODE> (2,973)
PTNCS

>  <AMOUNT_CURRENT> (2,973)
32.5

$$$$
WAY-607645
csChFnd80/11182011152D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.0000   -1.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.9625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    2.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6167   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -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  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  3  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  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  3  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 10  2  0  0  0  0
 19  6  1  0  0  0  0
 20 26  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23  4  2  0  0  0  0
 24  5  1  0  0  0  0
 25 30  1  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 23  1  0  0  0  0
 30 31  2  0  0  0  0
 31 17  1  0  0  0  0
 32 29  2  0  0  0  0
 33 19  2  0  0  0  0
  6  5  2  0  0  0  0
 32 19  1  0  0  0  0
 33 28  1  0  0  0  0
 25  9  2  0  0  0  0
 20 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,974)
2799

>  <Formula> (2,974)
C22H21N3O6S2

>  <MolWeight> (2,974)
487.54864

>  <PCAT_CMPD_ID> (2,974)
WAY-607645

>  <CNC_ID> (2,974)
359416066

>  <transfer_container_id> (2,974)
PTN000000073

>  <COMPOUND_NUMBER> (2,974)
WAY-607645

>  <BAR_CODE_NO> (2,974)
90441309

>  <LOCATION_CODE> (2,974)
PTNCS

>  <AMOUNT_CURRENT> (2,974)
32.6

$$$$
WAY-607723
csChFnd80/11182011152D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.7708   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.0125    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  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 15  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  1  0  0  0  0
 13 11  1  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  6  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
  6  5  2  0  0  0  0
 19 18  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,975)
2800

>  <Formula> (2,975)
C14H13N3O2

>  <MolWeight> (2,975)
255.27192

>  <PCAT_CMPD_ID> (2,975)
WAY-607723

>  <CNC_ID> (2,975)
359416144

>  <transfer_container_id> (2,975)
PTN000000073

>  <COMPOUND_NUMBER> (2,975)
WAY-607723

>  <BAR_CODE_NO> (2,975)
90441391

>  <LOCATION_CODE> (2,975)
PTNCS

>  <AMOUNT_CURRENT> (2,975)
32.6

$$$$
WAY-619262
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.0792   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    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  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  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  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 14  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
  8 10  2  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,976)
2801

>  <Formula> (2,976)
C13H17N3O3

>  <MolWeight> (2,976)
263.29238

>  <PCAT_CMPD_ID> (2,976)
WAY-619262

>  <CNC_ID> (2,976)
359416239

>  <transfer_container_id> (2,976)
PTN000000073

>  <COMPOUND_NUMBER> (2,976)
WAY-619262

>  <BAR_CODE_NO> (2,976)
90453311

>  <LOCATION_CODE> (2,976)
PTNCS

>  <AMOUNT_CURRENT> (2,976)
33

$$$$
WAY-620049
csChFnd80/11182011152D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.1411   -1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411    0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5169   -1.4740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624   -1.7568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928    0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831    1.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3687   -0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3106   -1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238    2.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210    0.4087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624    2.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7963   -0.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,977)
2802

>  <Formula> (2,977)
C9H10N2OS

>  <MolWeight> (2,977)
194.2535

>  <PCAT_CMPD_ID> (2,977)
WAY-620049

>  <CNC_ID> (2,977)
359416447

>  <transfer_container_id> (2,977)
PTN000000073

>  <COMPOUND_NUMBER> (2,977)
WAY-620049

>  <BAR_CODE_NO> (2,977)
90454120

>  <LOCATION_CODE> (2,977)
PTNCS

>  <AMOUNT_CURRENT> (2,977)
32.8

$$$$
WAY-642438
csChFnd80/11182011152D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.1292   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -0.4125    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
   -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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5958    1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -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  6  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  2  0  0  0  0
 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12 18  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  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 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20  3  1  0  0  0  0
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  2  0  0  0  0
 24 22  1  0  0  0  0
 21  8  2  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,978)
2978

>  <Formula> (2,978)
C17H18FN3O3

>  <MolWeight> (2,978)
331.3415232

>  <PCAT_CMPD_ID> (2,978)
WAY-642438

>  <CNC_ID> (2,978)
359324176

>  <transfer_container_id> (2,978)
PTN000000065

>  <COMPOUND_NUMBER> (2,978)
WAY-642438

>  <BAR_CODE_NO> (2,978)
90476998

>  <LOCATION_CODE> (2,978)
PTNCS

>  <AMOUNT_CURRENT> (2,978)
32.4

$$$$
WAY-333683
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.3304    3.5020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3363    5.1936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107    3.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0722    4.7707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6608    3.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956    5.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5090    2.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303    4.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792    6.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4691    1.2230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0726    4.1649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175    1.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7627    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0645    6.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3706    0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    7.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0794    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3731    8.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4304    6.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0186    8.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3650    9.2807    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  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  2  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  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  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  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  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  1  0  0  0  0
 23 20  2  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,979)
2979

>  <Formula> (2,979)
C17H17NO3S2

>  <MolWeight> (2,979)
347.45178

>  <PCAT_CMPD_ID> (2,979)
WAY-333683

>  <CNC_ID> (2,979)
359332216

>  <transfer_container_id> (2,979)
PTN000000067

>  <COMPOUND_NUMBER> (2,979)
WAY-333683

>  <BAR_CODE_NO> (2,979)
308684

>  <LOCATION_CODE> (2,979)
PTNCS

>  <AMOUNT_CURRENT> (2,979)
32.5

$$$$
WAY-332446
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.4000   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3875   12.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   13.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0250   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625   11.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0250    8.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7792    5.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   13.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4000    8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7792    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    5.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   15.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1875    6.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1500    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5250    4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   11.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   12.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9000    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5375    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9125    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  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 11  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  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  3  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  2  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 14  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
 25 19  2  0  0  0  0
 26 24  2  0  0  0  0
  3  5  1  0  0  0  0
 23 17  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,980)
2980

>  <Formula> (2,980)
C21H22N2O2S

>  <MolWeight> (2,980)
366.47658

>  <PCAT_CMPD_ID> (2,980)
WAY-332446

>  <CNC_ID> (2,980)
359330982

>  <transfer_container_id> (2,980)
PTN000000067

>  <COMPOUND_NUMBER> (2,980)
WAY-332446

>  <BAR_CODE_NO> (2,980)
307447

>  <LOCATION_CODE> (2,980)
PTNCS

>  <AMOUNT_CURRENT> (2,980)
32.5

$$$$
WAY-332458
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -7.4000   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3875   12.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   13.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0250   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583   12.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6625   11.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0250    8.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4042    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7500   13.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7792    5.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0292    5.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4000    8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   15.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7792    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1500    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8792    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875   10.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5250    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1500    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5250    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9000    3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2500    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   11.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   12.8125    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  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8 12  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  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 21  1  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 15  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 13  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  2  0  0  0  0
  3  5  1  0  0  0  0
 26 18  1  0  0  0  0
 16 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,981)
2981

>  <Formula> (2,981)
C21H22N2O2S

>  <MolWeight> (2,981)
366.47658

>  <PCAT_CMPD_ID> (2,981)
WAY-332458

>  <CNC_ID> (2,981)
359330994

>  <transfer_container_id> (2,981)
PTN000000067

>  <COMPOUND_NUMBER> (2,981)
WAY-332458

>  <BAR_CODE_NO> (2,981)
307459

>  <LOCATION_CODE> (2,981)
PTNCS

>  <AMOUNT_CURRENT> (2,981)
32.5

$$$$
WAY-643113
csChFnd80/11182011152D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.8417   -3.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -1.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1000   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -3.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -3.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    3.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708    1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.0750    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
    2.1625   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167   -0.4417    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  7  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 19  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  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  8  1  0  0  0  0
 15  1  1  0  0  0  0
 16  2  2  0  0  0  0
 17  4  2  0  0  0  0
 18  8  2  0  0  0  0
 19 25  1  0  0  0  0
 20 24  1  0  0  0  0
 21 14  1  0  0  0  0
 22 18  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 23  1  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 28  1  0  0  0  0
 13  5  1  0  0  0  0
 30 29  1  0  0  0  0
  7 20  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,982)
2982

>  <Formula> (2,982)
C21H31N3O5S

>  <MolWeight> (2,982)
437.55294

>  <PCAT_CMPD_ID> (2,982)
WAY-643113

>  <CNC_ID> (2,982)
359324851

>  <transfer_container_id> (2,982)
PTN000000065

>  <COMPOUND_NUMBER> (2,982)
WAY-643113

>  <BAR_CODE_NO> (2,982)
90477682

>  <LOCATION_CODE> (2,982)
PTNCS

>  <AMOUNT_CURRENT> (2,982)
32.6

$$$$
WAY-623684
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.4750   -0.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -0.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4542    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -0.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.3667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.8708    0.0000 C   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
   -4.2708    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    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  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 18  2  0  0  0  0
 10 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  2  0  0  0  0
 18 16  1  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 21  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,983)
2983

>  <Formula> (2,983)
C16H21NO5S2

>  <MolWeight> (2,983)
371.47164

>  <PCAT_CMPD_ID> (2,983)
WAY-623684

>  <CNC_ID> (2,983)
359322304

>  <transfer_container_id> (2,983)
PTN000000065

>  <COMPOUND_NUMBER> (2,983)
WAY-623684

>  <BAR_CODE_NO> (2,983)
90457853

>  <LOCATION_CODE> (2,983)
PTNCS

>  <AMOUNT_CURRENT> (2,983)
32

$$$$
WAY-333704
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -9.5167    4.7417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7667    6.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.7708    7.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4167    4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083    1.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4667    7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7208   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9792    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6250    4.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2333    9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    5.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8208   11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   10.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.8417    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   13.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   12.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833   13.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   16.0000    0.0000 Br  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  1  0  0  0  0
 18 15  2  0  0  0  0
 19  9  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 20  1  0  0  0  0
  8  4  1  0  0  0  0
 20 22  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,984)
2984

>  <Formula> (2,984)
C15H11Br2NO4S

>  <MolWeight> (2,984)
461.12514

>  <PCAT_CMPD_ID> (2,984)
WAY-333704

>  <CNC_ID> (2,984)
359332237

>  <transfer_container_id> (2,984)
PTN000000067

>  <COMPOUND_NUMBER> (2,984)
WAY-333704

>  <BAR_CODE_NO> (2,984)
308705

>  <LOCATION_CODE> (2,984)
PTNCS

>  <AMOUNT_CURRENT> (2,984)
32.5

$$$$
WAY-332548
csChFnd80/11182011152D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -4.2208    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    7.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    7.4417    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
   -5.4208    6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    2.9250    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
   -2.4000    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    8.1292    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
   -3.7458    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4583    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    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  2  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  1  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 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 17 20  1  0  0  0  0
 18  9  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 18  1  0  0  0  0
  5  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,985)
2985

>  <Formula> (2,985)
C18H22N4O2

>  <MolWeight> (2,985)
326.39288

>  <PCAT_CMPD_ID> (2,985)
WAY-332548

>  <CNC_ID> (2,985)
359331084

>  <transfer_container_id> (2,985)
PTN000000067

>  <COMPOUND_NUMBER> (2,985)
WAY-332548

>  <BAR_CODE_NO> (2,985)
307549

>  <LOCATION_CODE> (2,985)
PTNCS

>  <AMOUNT_CURRENT> (2,985)
32.5

$$$$
WAY-332552
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.2208    6.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    4.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    7.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    6.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208    5.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833    7.4417    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
   -5.4208    6.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500    2.9250    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
   -2.4000    5.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    8.1292    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
   -3.7375    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250    8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4708   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.8000    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  8  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  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 17 20  1  0  0  0  0
 18  9  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
  5  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,986)
2986

>  <Formula> (2,986)
C20H26N4O2

>  <MolWeight> (2,986)
354.44604

>  <PCAT_CMPD_ID> (2,986)
WAY-332552

>  <CNC_ID> (2,986)
359331088

>  <transfer_container_id> (2,986)
PTN000000067

>  <COMPOUND_NUMBER> (2,986)
WAY-332552

>  <BAR_CODE_NO> (2,986)
307553

>  <LOCATION_CODE> (2,986)
PTNCS

>  <AMOUNT_CURRENT> (2,986)
32.5

$$$$
WAY-643911
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.4333    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -1.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    1.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6958    0.2208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6292   -0.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.7917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6542   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542   -1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5167    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  1  0  0  0  0
  4 10  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  3  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  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 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18  9  1  0  0  0  0
 19  5  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  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 24  2  0  0  0  0
 26 24  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
  8  7  1  0  0  0  0
 21 20  2  0  0  0  0
  4 17  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,987)
2987

>  <Formula> (2,987)
C21H24N2O5S

>  <MolWeight> (2,987)
416.49066

>  <PCAT_CMPD_ID> (2,987)
WAY-643911

>  <CNC_ID> (2,987)
359325650

>  <transfer_container_id> (2,987)
PTN000000065

>  <COMPOUND_NUMBER> (2,987)
WAY-643911

>  <BAR_CODE_NO> (2,987)
90478485

>  <LOCATION_CODE> (2,987)
PTNCS

>  <AMOUNT_CURRENT> (2,987)
32

$$$$
WAY-642114
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0542   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.7250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2875   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    2.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    2.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -3.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -3.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -4.1417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    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  3  2  0  0  0  0
  5  2  2  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  6  1  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 10  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 19  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 14  2  0  0  0  0
 20 13  1  0  0  0  0
 21 16  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
  5  4  1  0  0  0  0
 16 20  2  0  0  0  0
 26 25  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,988)
2988

>  <Formula> (2,988)
C19H16FN3O2S

>  <MolWeight> (2,988)
369.4126432

>  <PCAT_CMPD_ID> (2,988)
WAY-642114

>  <CNC_ID> (2,988)
359323852

>  <transfer_container_id> (2,988)
PTN000000065

>  <COMPOUND_NUMBER> (2,988)
WAY-642114

>  <BAR_CODE_NO> (2,988)
90476669

>  <LOCATION_CODE> (2,988)
PTNCS

>  <AMOUNT_CURRENT> (2,988)
32.4

$$$$
WAY-641677
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0750   -1.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -1.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125    1.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -0.1917    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
    1.1542    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0213   -3.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5491   -3.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    3.0708    0.0000 C   0  0  0  0  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  9  3  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9 14  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  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  7  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 21  1  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21 15  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
  4 10  1  0  0  0  0
 14 17  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,989)
2989

>  <Formula> (2,989)
C21H21N3OS

>  <MolWeight> (2,989)
363.47594

>  <PCAT_CMPD_ID> (2,989)
WAY-641677

>  <CNC_ID> (2,989)
359323415

>  <transfer_container_id> (2,989)
PTN000000065

>  <COMPOUND_NUMBER> (2,989)
WAY-641677

>  <BAR_CODE_NO> (2,989)
90476229

>  <LOCATION_CODE> (2,989)
PTNCS

>  <AMOUNT_CURRENT> (2,989)
32.4

$$$$
WAY-643686
csChFnd80/11182011152D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.2583   -1.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -1.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.4583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1833   -0.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    1.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -1.4667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  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  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  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  2  2  0  0  0  0
 16 19  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  0  0  0  0
 21 13  1  0  0  0  0
 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24 10  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
 27 26  1  0  0  0  0
 13  3  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,990)
2990

>  <Formula> (2,990)
C17H23ClN2O5S2

>  <MolWeight> (2,990)
434.95792

>  <PCAT_CMPD_ID> (2,990)
WAY-643686

>  <CNC_ID> (2,990)
359325424

>  <transfer_container_id> (2,990)
PTN000000065

>  <COMPOUND_NUMBER> (2,990)
WAY-643686

>  <BAR_CODE_NO> (2,990)
90478258

>  <LOCATION_CODE> (2,990)
PTNCS

>  <AMOUNT_CURRENT> (2,990)
32.5

$$$$
WAY-329061
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -6.8042    6.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917    4.6583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1667    7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8167    7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5167    6.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2250    4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4250    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3542    4.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    4.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9417    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1792    8.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8667    6.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5167    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8667    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2250    6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4542    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1417    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0042    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4542    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1417    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5083   -0.4500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.7917   -1.5667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -14.9417    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5375    1.3958    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  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 16  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  9  2  0  0  0  0
 13  3  2  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  1  0  0  0  0
 19  8  2  0  0  0  0
 20 12  1  0  0  0  0
 21 23  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 21  1  0  0  0  0
 26  9  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 17  7  1  0  0  0  0
 21 22  1  0  0  0  0
 28 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,991)
2991

>  <Formula> (2,991)
C20H20Cl2N2O3S

>  <MolWeight> (2,991)
439.3554

>  <PCAT_CMPD_ID> (2,991)
WAY-329061

>  <CNC_ID> (2,991)
359316426

>  <transfer_container_id> (2,991)
PTN000000065

>  <COMPOUND_NUMBER> (2,991)
WAY-329061

>  <BAR_CODE_NO> (2,991)
304062

>  <LOCATION_CODE> (2,991)
PTNCS

>  <AMOUNT_CURRENT> (2,991)
32.5

$$$$
WAY-329064
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -6.1792    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1667    4.2333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4167    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1917    7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    6.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6417    5.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1000    4.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3167    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1667    2.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5792    4.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    4.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5167    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4292    7.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3167    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6417    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8750    6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1000    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8750    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3917    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5167    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7625    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1667   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7625    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.2167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1542   -1.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.0792    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  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7 17  1  0  0  0  0
  8  7  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  8  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  6  1  0  0  0  0
 17 16  1  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 14  2  0  0  0  0
 22 12  1  0  0  0  0
 23 26  1  0  0  0  0
 24 21  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 14  1  0  0  0  0
  4  5  1  0  0  0  0
 18  7  1  0  0  0  0
 25 23  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,992)
2992

>  <Formula> (2,992)
C21H22Cl2N2O3S

>  <MolWeight> (2,992)
453.38198

>  <PCAT_CMPD_ID> (2,992)
WAY-329064

>  <CNC_ID> (2,992)
359316429

>  <transfer_container_id> (2,992)
PTN000000065

>  <COMPOUND_NUMBER> (2,992)
WAY-329064

>  <BAR_CODE_NO> (2,992)
304065

>  <LOCATION_CODE> (2,992)
PTNCS

>  <AMOUNT_CURRENT> (2,992)
32.5

$$$$
WAY-333669
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -8.6542    4.3125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1542    6.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.7417    4.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7042    7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    6.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2375    6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    4.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5667    4.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1667    2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    5.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   10.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   11.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   14.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    3.0083    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  2  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  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  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 19  2  0  0  0  0
 22 19  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  2  1  0  0  0  0
 16 18  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,993)
2993

>  <Formula> (2,993)
C19H19NO5S

>  <MolWeight> (2,993)
373.42286

>  <PCAT_CMPD_ID> (2,993)
WAY-333669

>  <CNC_ID> (2,993)
359332202

>  <transfer_container_id> (2,993)
PTN000000067

>  <COMPOUND_NUMBER> (2,993)
WAY-333669

>  <BAR_CODE_NO> (2,993)
308670

>  <LOCATION_CODE> (2,993)
PTNCS

>  <AMOUNT_CURRENT> (2,993)
32.5

$$$$
WAY-333678
csChFnd80/11182011152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -8.6750    4.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1667    6.1500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3458    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7542    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7167    7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2542    6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5917    4.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1792    2.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125   11.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    5.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    1.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083   12.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    7.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   14.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    8.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    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  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  7  2  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  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 14  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 16  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 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
 28 26  1  0  0  0  0
  6  2  1  0  0  0  0
 17 12  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,994)
2994

>  <Formula> (2,994)
C20H21NO6S

>  <MolWeight> (2,994)
403.44884

>  <PCAT_CMPD_ID> (2,994)
WAY-333678

>  <CNC_ID> (2,994)
359332211

>  <transfer_container_id> (2,994)
PTN000000067

>  <COMPOUND_NUMBER> (2,994)
WAY-333678

>  <BAR_CODE_NO> (2,994)
308679

>  <LOCATION_CODE> (2,994)
PTNCS

>  <AMOUNT_CURRENT> (2,994)
32.5

$$$$
WAY-278666
csChFnd80/11182011152D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.5458   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -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  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  1  0  0  0  0
  8  4  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  7  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  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 17  1  0  0  0  0
 19 14  1  0  0  0  0
 10 13  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,995)
2995

>  <Formula> (2,995)
C14H15NO3S

>  <MolWeight> (2,995)
277.3388

>  <PCAT_CMPD_ID> (2,995)
WAY-278666

>  <CNC_ID> (2,995)
359327386

>  <transfer_container_id> (2,995)
PTN000000067

>  <COMPOUND_NUMBER> (2,995)
WAY-278666

>  <BAR_CODE_NO> (2,995)
389321

>  <LOCATION_CODE> (2,995)
PTNCS

>  <AMOUNT_CURRENT> (2,995)
32.5

$$$$
WAY-278667
csChFnd80/11182011152D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.5458   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -2.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    2.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    3.0958    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  3  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  4  2  0  0  0  0
  9  5  2  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  5  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 11 12  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,996)
2996

>  <Formula> (2,996)
C14H15NO4S

>  <MolWeight> (2,996)
293.3382

>  <PCAT_CMPD_ID> (2,996)
WAY-278667

>  <CNC_ID> (2,996)
359327387

>  <transfer_container_id> (2,996)
PTN000000067

>  <COMPOUND_NUMBER> (2,996)
WAY-278667

>  <BAR_CODE_NO> (2,996)
389322

>  <LOCATION_CODE> (2,996)
PTNCS

>  <AMOUNT_CURRENT> (2,996)
32.5

$$$$
WAY-329044
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.5625   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625   -9.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -8.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250   -7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625  -11.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000   -9.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -9.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4917   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125   -5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250  -12.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125  -12.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9250  -13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125  -13.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625  -14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -8.1917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4917  -10.5292    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
   13.5625  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -7.4125    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  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  2  2  0  0  0  0
  9  2  2  0  0  0  0
 10  4  1  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  4  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 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
  5  6  1  0  0  0  0
 20 18  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,997)
2997

>  <Formula> (2,997)
C17H23NO3S

>  <MolWeight> (2,997)
321.43442

>  <PCAT_CMPD_ID> (2,997)
WAY-329044

>  <CNC_ID> (2,997)
359316409

>  <transfer_container_id> (2,997)
PTN000000065

>  <COMPOUND_NUMBER> (2,997)
WAY-329044

>  <BAR_CODE_NO> (2,997)
304045

>  <LOCATION_CODE> (2,997)
PTNCS

>  <AMOUNT_CURRENT> (2,997)
32.5

$$$$
WAY-329043
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.5208   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6125   -5.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5208   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7125   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -7.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -4.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -7.8375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7125   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8042   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -5.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8000   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8917   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292   -8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -6.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -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  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  2  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  7  1  0  0  0  0
 13  7  2  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 16  2  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 17  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
  5  6  1  0  0  0  0
 22 19  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,998)
2998

>  <Formula> (2,998)
C17H23NO3S

>  <MolWeight> (2,998)
321.43442

>  <PCAT_CMPD_ID> (2,998)
WAY-329043

>  <CNC_ID> (2,998)
359316408

>  <transfer_container_id> (2,998)
PTN000000065

>  <COMPOUND_NUMBER> (2,998)
WAY-329043

>  <BAR_CODE_NO> (2,998)
304044

>  <LOCATION_CODE> (2,998)
PTNCS

>  <AMOUNT_CURRENT> (2,998)
32.5

$$$$
WAY-643550
csChFnd80/11182011152D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.6958    0.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -0.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9583    0.4333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3292   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -1.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1167   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3958    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  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 16  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  4  2  0  0  0  0
 12 22  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 15  1  0  0  0  0
 17 20  1  0  0  0  0
 18  9  2  0  0  0  0
 19 12  2  0  0  0  0
 20 16  1  0  0  0  0
 21  9  1  0  0  0  0
 22 21  1  0  0  0  0
 23  6  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
  6  5  1  0  0  0  0
 26 25  1  0  0  0  0
  4 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,999)
2999

>  <Formula> (2,999)
C16H22N2O7S

>  <MolWeight> (2,999)
386.42008

>  <PCAT_CMPD_ID> (2,999)
WAY-643550

>  <CNC_ID> (2,999)
359325288

>  <transfer_container_id> (2,999)
PTN000000065

>  <COMPOUND_NUMBER> (2,999)
WAY-643550

>  <BAR_CODE_NO> (2,999)
90478122

>  <LOCATION_CODE> (2,999)
PTNCS

>  <AMOUNT_CURRENT> (2,999)
32.4

$$$$
WAY-333637
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.4996    4.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8008    5.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3281    5.7757    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5584    3.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1646    4.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    7.4643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0670    7.0422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2572    2.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6562    5.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922    7.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287    7.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    2.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9154    1.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6704    4.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0604    6.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8956    4.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6712    8.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6233    0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694    9.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0404    9.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2906    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2432    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3622   10.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117   11.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3490   11.5445    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  4  2  0  0  0  0
 18  6  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 18  2  0  0  0  0
 23 24  2  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
  8 13  1  0  0  0  0
 23 20  1  0  0  0  0
  3 11  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,000)
3000

>  <Formula> (3,000)
C20H15NO5S

>  <MolWeight> (3,000)
381.4018

>  <PCAT_CMPD_ID> (3,000)
WAY-333637

>  <CNC_ID> (3,000)
359332170

>  <transfer_container_id> (3,000)
PTN000000067

>  <COMPOUND_NUMBER> (3,000)
WAY-333637

>  <BAR_CODE_NO> (3,000)
308638

>  <LOCATION_CODE> (3,000)
PTNCS

>  <AMOUNT_CURRENT> (3,000)
32.5

$$$$
WAY-641914
csChFnd80/11182011152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.1625    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    1.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    3.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -2.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.4792    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
   -1.5958    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -3.5417    0.0000 C   0  0  0  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  5  2  0  0  0  0
  9 12  2  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 14  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  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  2  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  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,001)
3001

>  <Formula> (3,001)
C16H14N4O2

>  <MolWeight> (3,001)
294.30796

>  <PCAT_CMPD_ID> (3,001)
WAY-641914

>  <CNC_ID> (3,001)
359323652

>  <transfer_container_id> (3,001)
PTN000000065

>  <COMPOUND_NUMBER> (3,001)
WAY-641914

>  <BAR_CODE_NO> (3,001)
90476467

>  <LOCATION_CODE> (3,001)
PTNCS

>  <AMOUNT_CURRENT> (3,001)
32.8

$$$$
WAY-331387
csChFnd80/11182011152D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -7.2750   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0083   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1333   14.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5625   13.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5500    9.8833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7333    9.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1333    8.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000   13.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1333    7.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6375    6.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6500    6.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2125   13.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1625   10.8833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375   15.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1250    1.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   13.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6500    4.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1250    3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6083    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   14.8375    0.0000 C   0  0  0  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  2  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 10  2  0  0  0  0
 13 10  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 20  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 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
  8  6  1  0  0  0  0
  5  4  1  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,002)
3002

>  <Formula> (3,002)
C16H16FN3O2S

>  <MolWeight> (3,002)
333.3805432

>  <PCAT_CMPD_ID> (3,002)
WAY-331387

>  <CNC_ID> (3,002)
359318742

>  <transfer_container_id> (3,002)
PTN000000065

>  <COMPOUND_NUMBER> (3,002)
WAY-331387

>  <BAR_CODE_NO> (3,002)
306388

>  <LOCATION_CODE> (3,002)
PTNCS

>  <AMOUNT_CURRENT> (3,002)
32.5

$$$$
WAY-331398
csChFnd80/11182011152D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -7.0875   12.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875   16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5292   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6875   15.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875   10.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5167   15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125    6.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125    3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8208    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125    7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8208    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0958    6.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8375    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8375    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2958    3.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125   12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3375   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3000   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   15.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8500    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8375   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9375   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   13.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9250   15.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  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 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 14  6  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 10  1  0  0  0  0
 19  3  1  0  0  0  0
 20  4  2  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  2  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  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
  5  2  2  0  0  0  0
 29 23  1  0  0  0  0
 28 22  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,003)
3003

>  <Formula> (3,003)
C23H24N2O3S

>  <MolWeight> (3,003)
408.51326

>  <PCAT_CMPD_ID> (3,003)
WAY-331398

>  <CNC_ID> (3,003)
359318751

>  <transfer_container_id> (3,003)
PTN000000065

>  <COMPOUND_NUMBER> (3,003)
WAY-331398

>  <BAR_CODE_NO> (3,003)
306399

>  <LOCATION_CODE> (3,003)
PTNCS

>  <AMOUNT_CURRENT> (3,003)
32.5

$$$$
WAY-331402
csChFnd80/11182011152D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -7.0875   12.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875   16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5292   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6875   15.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0875   10.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5167   15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125    7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125    6.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125    4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0958    6.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7125    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7375    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125   12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   12.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1375    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3000   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   15.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9625    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9250    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3500    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9375   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3000   13.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9250   15.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   15.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  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 13  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  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15  3  1  0  0  0  0
 16  4  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 21  1  0  0  0  0
 21 10  2  0  0  0  0
 22 20  2  0  0  0  0
 23 17  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  2  0  0  0  0
  5  2  2  0  0  0  0
 27 19  1  0  0  0  0
 26 18  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,004)
3004

>  <Formula> (3,004)
C22H22N2O2S

>  <MolWeight> (3,004)
378.48728

>  <PCAT_CMPD_ID> (3,004)
WAY-331402

>  <CNC_ID> (3,004)
359318755

>  <transfer_container_id> (3,004)
PTN000000065

>  <COMPOUND_NUMBER> (3,004)
WAY-331402

>  <BAR_CODE_NO> (3,004)
306403

>  <LOCATION_CODE> (3,004)
PTNCS

>  <AMOUNT_CURRENT> (3,004)
32.5

$$$$
WAY-331535
csChFnd80/11182011152D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -7.0750   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750   16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6958   13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6958   15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750   10.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3000    6.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6875    7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3000    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7250    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    6.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6875    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4458   12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1750    3.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4458   15.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5500   14.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8458    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7250    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7125    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   13.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8458    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3000    0.1750    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  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  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  3  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 14  1  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 15  1  0  0  0  0
 23 17  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
  5  2  2  0  0  0  0
 18 16  1  0  0  0  0
 24 19  1  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,005)
3005

>  <Formula> (3,005)
C21H20N2O2S

>  <MolWeight> (3,005)
364.4607

>  <PCAT_CMPD_ID> (3,005)
WAY-331535

>  <CNC_ID> (3,005)
359330073

>  <transfer_container_id> (3,005)
PTN000000067

>  <COMPOUND_NUMBER> (3,005)
WAY-331535

>  <BAR_CODE_NO> (3,005)
306536

>  <LOCATION_CODE> (3,005)
PTNCS

>  <AMOUNT_CURRENT> (3,005)
32.5

$$$$
WAY-331537
csChFnd80/11182011152D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -7.0750   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750   16.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6958   13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   13.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6958   15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750   10.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4875   15.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3000    6.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3000    3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8125    2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6875    7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8125    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0750    6.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6875    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8125    2.6000    0.0000 C   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
  -11.8125    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4458   12.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2833    3.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4458   15.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   12.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3125   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5500   14.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8500    2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8208   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   13.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   15.0625    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  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 14  6  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  3  1  0  0  0  0
 19 10  1  0  0  0  0
 20  5  1  0  0  0  0
 21  4  2  0  0  0  0
 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
 24  7  2  0  0  0  0
 25 19  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
  5  2  2  0  0  0  0
 23 20  1  0  0  0  0
 28 24  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,006)
3006

>  <Formula> (3,006)
C22H22N2O3S

>  <MolWeight> (3,006)
394.48668

>  <PCAT_CMPD_ID> (3,006)
WAY-331537

>  <CNC_ID> (3,006)
359330075

>  <transfer_container_id> (3,006)
PTN000000067

>  <COMPOUND_NUMBER> (3,006)
WAY-331537

>  <BAR_CODE_NO> (3,006)
306538

>  <LOCATION_CODE> (3,006)
PTNCS

>  <AMOUNT_CURRENT> (3,006)
32.5

$$$$
WAY-333898
csChFnd80/11182011152D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.5833    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5458    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1458    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208   -0.4667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    2.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    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  2  2  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 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10  1  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 11  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 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 13  1  0  0  0  0
 23 13  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
  4  5  1  0  0  0  0
 20 18  2  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,007)
3007

>  <Formula> (3,007)
C16H17FN6OS

>  <MolWeight> (3,007)
360.4091832

>  <PCAT_CMPD_ID> (3,007)
WAY-333898

>  <CNC_ID> (3,007)
359332431

>  <transfer_container_id> (3,007)
PTN000000067

>  <COMPOUND_NUMBER> (3,007)
WAY-333898

>  <BAR_CODE_NO> (3,007)
308899

>  <LOCATION_CODE> (3,007)
PTNCS

>  <AMOUNT_CURRENT> (3,007)
32.5

$$$$
WAY-329722
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.0042   -1.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -2.6375    0.0000 C   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
    0.2542   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -3.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542    1.0083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7625   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -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  1  0  0  0  0
  4  2  2  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  2  0  0  0  0
  9  8  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 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  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9  7  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,008)
3008

>  <Formula> (3,008)
C11H9ClN6

>  <MolWeight> (3,008)
260.68236

>  <PCAT_CMPD_ID> (3,008)
WAY-329722

>  <CNC_ID> (3,008)
359317090

>  <transfer_container_id> (3,008)
PTN000000065

>  <COMPOUND_NUMBER> (3,008)
WAY-329722

>  <BAR_CODE_NO> (3,008)
304723

>  <LOCATION_CODE> (3,008)
PTNCS

>  <AMOUNT_CURRENT> (3,008)
32.5

$$$$
WAY-329723
csChFnd80/11182011152D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.5833   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    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  1  0  0  0  0
  4  2  2  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  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  9  1  0  0  0  0
 18 12  1  0  0  0  0
  4  5  1  0  0  0  0
  9  7  2  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,009)
3009

>  <Formula> (3,009)
C12H12N6

>  <MolWeight> (3,009)
240.26388

>  <PCAT_CMPD_ID> (3,009)
WAY-329723

>  <CNC_ID> (3,009)
359317091

>  <transfer_container_id> (3,009)
PTN000000065

>  <COMPOUND_NUMBER> (3,009)
WAY-329723

>  <BAR_CODE_NO> (3,009)
304724

>  <LOCATION_CODE> (3,009)
PTNCS

>  <AMOUNT_CURRENT> (3,009)
32.5

$$$$
WAY-623649
csChFnd80/11182011152D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3583   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208    1.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    3.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.6083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1417   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    2.7375    0.0000 C   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
    2.5750   -3.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    4.1292    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  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8  6  1  0  0  0  0
  9 10  1  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 18  1  0  0  0  0
 14  3  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 15  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21  8  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
  3  4  1  0  0  0  0
 20 14  2  0  0  0  0
 12  8  2  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

>  <PCAT_CMPD_ID> (3,010)
WAY-623649

>  <CNC_ID> (3,010)
359322269

>  <transfer_container_id> (3,010)
PTN000000065

>  <COMPOUND_NUMBER> (3,010)
WAY-623649

>  <BAR_CODE_NO> (3,010)
90457818

>  <LOCATION_CODE> (3,010)
PTNCS

>  <AMOUNT_CURRENT> (3,010)
32.4

$$$$
